SCHEMBL5333780

SCHEMBL5333780

COCC(O)COCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.66
CA2 P00918 2/20 0.66
CA7 P43166 1/20 0.66
CA9 Q16790 1/20 0.66
KMT2A Q03164 2/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 2/20 0.51
POLB P06746 1/20 0.51
TSHR P16473 2/20 0.50
MAPT P10636 1/20 0.50
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C19 P33261 2/20 0.48
RGS12 O14924 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
PRMT5 O14744 1/20 0.48
WDR77 Q9BQA1 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48

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
SCHEMBL15764380 1.00 CA1 (0.66) CA1CA2CA7CA9KMT2A
SCHEMBL12222362 0.91 CA1 (0.60) CA1CA2CA7CA9KMT2A
SCHEMBL397022 0.90 CA1 (0.78) CA1CA2CA7CA9KMT2A
SCHEMBL28599438 0.89 CA1 (0.62) CA1CA2CA7CA9KMT2A
SCHEMBL28599440 0.89 CA1 (0.62) CA1CA2CA7CA9KMT2A
SCHEMBL24180413 0.87 CA1 (0.64) CA1CA2CA7CA9KMT2A
SCHEMBL21344946 0.87 CA1 (0.64) CA1CA2CA7CA9KMT2A
SCHEMBL19969955 0.86 CA1 (0.53) CA1CA2CA7CA9KMT2A
SCHEMBL9661261 0.85 CA1 (0.66) CA1CA2CA7CA9KMT2A
SCHEMBL3545404 0.85 CA1 (0.65) CA1CA2CA7CA9MAPK1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4100124-A1 HETEROCYCLIC COMPOUNDS AS DIHYDROOROTATE DEHYDROGENASE INHIBITORS Janssen Biotech, Inc. (US) 2022-12-14 EP disclosed
CN-115427109-A Heterocyclic compounds as dihydroorotate dehydrogenase inhibitors 詹森生物科技公司 2022-12-02 CN disclosed
WO-2021156787-A1 HETEROCYCLIC COMPOUNDS AS DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH, INC. (US) 2021-08-12 WO disclosed
WO-2021156787-A1 HETEROCYCLIC COMPOUNDS AS DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH, INC. (US) 2021-08-12 WO disclosed
EP-2844642-B1 COMPOUNDS FOR INHIBITING CELL PROLIFERATION IN EGFR-DRIVEN CANCERS ARIAD PHARMA INC (US) 2019-11-13 EP disclosed
US-9834571-B2 Compounds for inhibiting cell proliferation in EGFR-driven cancers ARIAD PHARMACEUTICALS, INC. (US) 2017-12-05 US disclosed
US-9834518-B2 Compounds for inhibiting cell proliferation in EGFR-driven cancers ARIAD PHARMACEUTICALS, INC. (US) 2017-12-05 US disclosed
US-20150099800-A1 NOVEL LIPASE INHIBITORS, REPORTER SUBSTRATES AND USES THEREOF NIH - DEITR 2015-04-09 US disclosed
US-8748660-B2 Process for the synthesis of antiepileptic drug lacosamide COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-06-10 US disclosed
US-20140012044-A1 PROCESS FOR THE SYNTHESIS OF ANTIEPILEPTIC DRUG LACOSAMIDE COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-01-09 US disclosed
US-20100331310-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-30 US disclosed
US-20090216003-A1 STABLE AND SELECTIVE FORMATION OF HOOGSTEEN-TYPE TRIPLEXES AND DUPLEXES USING TWISTED INTERCALATING NUCLEIC ACIDS (TINA) AND PROCESS FOR THE PREPARATION OF TINA TINA HOLDING APS (DK) 2009-08-27 US disclosed
WO-2007036494-A2 AGROCHEMICAL FORMULATION COMPRISING POLYMER PARTICLES CONTAINING ACTIVE SUBSTANCES BASF SE (DE) 2007-04-05 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 (4 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-20140012044-A1 PROCESS FOR THE SYNTHESIS OF ANTIEPILEPTIC DRUG LACOSAMIDE GNE, GABRE, GALE CA1 159/4885CA2 107/4885CA7 458/4885
US-20100331310-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 CA1 2021/4885CA2 883/4885CA7 3048/4885
US-20150099800-A1 NOVEL LIPASE INHIBITORS, REPORTER SUBSTRATES AND USES THEREOF PNLIP, LIPE, LIPC CA1 4330/4885CA2 4374/4885CA7 3959/4885
US-20090216003-A1 STABLE AND SELECTIVE FORMATION OF HOOGSTEEN-TYPE TRIPLEXES AND DUPLEXES USING TWISTED INTERCALATING NUCLEIC ACIDS (TINA) AND PROCESS FOR THE PREPARATION OF TINA PCNA, DNA2, NUDT1 CA1 3431/4885CA2 2764/4885CA7 2597/4885

“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.