SCHEMBL3360458

SCHEMBL3360458

Cc1cc(C(=O)O)ccc1CN

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.51
GRM1 Q13255 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
KMT2A Q03164 1/20 0.50
TSHR P16473 3/20 0.47
MYC P01106 1/20 0.47
ESR1 P03372 1/20 0.47
ALOX15 P16050 1/20 0.47
PTPN7 P35236 1/20 0.47
HSD17B10 Q99714 1/20 0.47
RXRA P19793 2/20 0.47
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 3/20 0.43
GAA P10253 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NR1H4 Q96RI1 1/20 0.41
MAPT P10636 2/20 0.41

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
SCHEMBL3708071 0.85 HTR7 (0.53) EPHX2GRM1TDP1MEN1CYP1A2
SCHEMBL8149097 0.85 PARP1 (0.46) MEN1CYP1A2KMT2ATSHRHSD17B10
SCHEMBL20045101 0.85 MRGPRX4 (0.49) EPHX2GRM1TDP1MEN1CYP1A2
SCHEMBL6859659 0.84 EPHX2 (0.54) EPHX2GRM1TDP1MEN1CYP1A2
SCHEMBL2591830 0.84 EPHX2 (0.54) EPHX2GRM1TDP1MEN1CYP1A2
Hydrochloric Acid SCHEMBL12499459 0.84 HTR7 (0.51) EPHX2GRM1TDP1MEN1CYP1A2
SCHEMBL4549023 0.82 ACE2 (0.53) EPHX2GRM1TDP1MEN1CYP1A2
SCHEMBL27703415 0.82 EPHX2 (0.47) EPHX2GRM1TDP1MEN1CYP1A2
SCHEMBL27283211 0.82 TSHR (0.46) TSHRALDH1A1KDM4EGAAL3MBTL1
SCHEMBL27333134 0.81 EPHX2 (0.49) EPHX2GRM1TDP1MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116675648-A Preparation method of telmisartan 迪嘉药业集团股份有限公司 2023-09-01 CN disclosed
US-20230160001-A1 NUCLEOTIDE CLEAVABLE LINKERS WITH RIGID SPACERS AND USES THEREOF FIRST-CITIZENS BANK & TRUST COMPANY 2023-05-25 US disclosed
US-20170152287-A1 METHODS AND COMPOSITIONS FOR SITE-SPECIFIC LABELING OF PEPTIDES AND PROTEINS UNIVERSITY OF ROCHESTER 2017-06-01 US disclosed
CN-102746214-A Novel indoline compounds FOURNIER LAB SA 2012-10-24 CN disclosed
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 US disclosed
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 US disclosed
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 US disclosed
CN-101184731-A Indoline compounds FOURNIER LAB SA (FR) 2008-05-21 CN disclosed
CN-101074242-A Cells accumulation for sphosphonate analogs of HIV protease inhibitor compound and the same compound GILEAD SCIENCES INC (US) 2007-11-21 CN disclosed
CN-1313472-C Cellular Accumulation of Phosphonate Analogs of HIV Protease Inhibitor Compounds and Such Compounds GILEAD SCIENCES INC (US) 2007-05-02 CN 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
CN-1649885-A Cellular Accumulation of Phosphonate Analogs of HIV Protease Inhibitor Compounds and Such Compounds GILEAD SCIENCES INC (US) 2005-08-03 CN disclosed
WO-2005064008-A1 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-07-14 WO disclosed
CN-1623992-A Novel medicine of non peptide like angiotensin II receptor antagonism agent, their preparation and application UNIV BEIJING NORMAL (CN) 2005-06-08 CN 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
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
EP-0342931-B1 Method for the production of human tissue type plasminogen activator MITSUI TOATSU CHEMICALS (JP) 1994-07-20 EP disclosed
US-5151359-A P-aminomethylbenzoic acid in a cell culture, incubation MITSUI TOATSU CHEMICALS INCORPORATED (JP) 1992-09-29 US disclosed
EP-0342931-A1 Method for the production of human tissue type plasminogen activator MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-11-23 EP 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 (3 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-20170152287-A1 METHODS AND COMPOSITIONS FOR SITE-SPECIFIC LABELING OF PEPTIDES AND PROTEINS PTMS, ACP1, QPCTL EPHX2 1069/4885GRM1 3747/4885TDP1 3238/4885
US-20050209197-A1 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds PPA1, PPME1, PNP EPHX2 4314/4885GRM1 4657/4885TDP1 554/4885
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds CES1, PNP, PGLS EPHX2 425/4885GRM1 2890/4885TDP1 1526/4885

“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.