SCHEMBL2597582

SCHEMBL2597582

O=P(O)(O)c1ccc(CBr)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
CA5A P35218 1/20 0.48
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
TSHR P16473 2/20 0.40
TRPA1 O75762 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ENPP1 P22413 1/20 0.35
LMNA P02545 1/20 0.34
PGK1 P00558 2/20 0.33
PGK2 P07205 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
CFTR P13569 1/20 0.33
PNP P00491 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11324417 0.80 TRPA1 (0.43) CES2CES1TSHRTRPA1ALDH1A1
SCHEMBL5667423 0.80 CA2 (0.52) CA2CA4CA5ATSHRALDH1A1
SCHEMBL2171752 0.79 CA2 (0.71) CA2CA4CA5ATSHRALDH1A1
SCHEMBL3362601 0.78 CA2 (0.50) CA2CA4CA5ATSHRENPP1
SCHEMBL3364798 0.76 PGK1 (0.55) CES2CES1TSHRTRPA1ALDH1A1
SCHEMBL344618 0.76 SMN1; SMN2 (0.52) CA2CA4CA5ATSHRALDH1A1
SCHEMBL13538144 0.76 CA2 (0.48) CA2CA4CA5A
Potassium Ion SCHEMBL10942524 0.76 TRPA1 (0.40) CES2CES1TSHRTRPA1ALDH1A1
SCHEMBL27152988 0.76 TSHR (0.40) CES2CES1TSHRTRPA1ALDH1A1
SCHEMBL7595631 0.76 PGK1 (0.50) CA2CA4CA5ATSHRTRPA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250041319-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC 2025-02-06 US disclosed
US-12029744-B2 Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors RIBOSCIENCE LLC (US) 2024-07-09 US disclosed
EP-4249070-A2 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS Riboscience LLC (US) 2023-09-27 EP disclosed
US-20220362266-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC 2022-11-17 US disclosed
EP-3952995-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS Riboscience LLC (US) 2022-02-16 EP disclosed
CN-114040915-A Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors 里伯赛恩斯有限责任公司 2022-02-11 CN disclosed
WO-2020210649-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC (US) 2020-10-15 WO disclosed
US-9385332-B2 Organic-inorganic hybrid multilayer gate dielectrics for thin film transistors NORTHWESTERN UNIVERSITY (US) 2016-07-05 US disclosed
US-20160072085-A1 Organic-Inorganic Hybrid Multilayer Gate Dielectrics for Thin Film Transistors NORTHWESTERN UNIVERSITY 2016-03-10 US disclosed
US-9276226-B2 Organic-inorganic hybrid multilayer gate dielectrics for thin-film transistors NORTHWESTERN UNIVERSITY (US) 2016-03-01 US disclosed
WO-2005064008-A9 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES INC (US) 2006-09-28 WO disclosed
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds GILEAD SCIENCES. INC. 2005-10-27 US disclosed
US-20050209197-A1 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. 2005-09-22 US disclosed
WO-2005064008-A1 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-07-14 WO disclosed
EP-1509537-A2 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES, INC. (US) 2005-03-02 EP disclosed
EP-1140980-B1 PSEUDOPEPTIDE COMPOUNDS HAVING AN INHIBITING ACTIVITY WITH RESPECT TO PATHS ACTIVATED BY PROTEINS WITH ACTIVE TYROSINE KINASE ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME INST NAT SANTE RECH MED (FR) 2004-09-29 EP disclosed
WO-2003090690-A2 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES, INC. (US) 2003-11-06 WO disclosed
US-20020055463-A1 Pseudopeptide compounds having an inhibiting activity with respect to paths activated by proteins with active tyrosine kinase activity and pharmaceutical compositions containing same CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2002-05-09 US disclosed
EP-1140980-A1 PSEUDOPEPTIDE COMPOUNDS HAVING AN INHIBITING ACTIVITY WITH RESPECT TO PATHS ACTIVATED BY PROTEINS WITH ACTIVE TYROSINE KINASE ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2001-10-10 EP disclosed
WO-2000039153-A1 PSEUDOPEPTIDE COMPOUNDS HAVING AN INHIBITING ACTIVITY WITH RESPECT TO PATHS ACTIVATED BY PROTEINS WITH ACTIVE TYROSINE KINASE ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE INSERM (FR) 2000-07-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020055463-A1 Pseudopeptide compounds having an inhibiting activity with respect to paths activated by proteins with active tyrosine kinase activity and pharmaceutical compositions containing same ERBB2, CCNC, CDK1 CA2 909/4885CA4 1128/4885CA5A 1057/4885
US-20050209197-A1 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds PPA1, PPME1, PNP CA2 3935/4885CA4 3269/4885CA5A 3294/4885
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds CES1, PNP, PGLS CA2 3487/4885CA4 1030/4885CA5A 2188/4885
US-20250041319-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS ENPP1, ENPP3, SMPD1 CA2 3193/4885CA4 4498/4885CA5A 1261/4885
US-12029744-B2 Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors ENPP1, ENPP3, SMPD1 CA2 3208/4885CA4 4497/4885CA5A 1283/4885
US-20220362266-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS ENPP1, ENPP3, SMPD1 CA2 3208/4885CA4 4497/4885CA5A 1283/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.