SCHEMBL2851564

SCHEMBL2851564

CC(NC(=O)OCc1ccccc1)c1ccc(C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.60
CYP3A4 P08684 7/20 0.56
TSHR P16473 3/20 0.56
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
ACHE P22303 1/20 0.52
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 2/20 0.52
CTSK P43235 2/20 0.51
MAPT P10636 2/20 0.51
CTRB1 P17538 2/20 0.50
CTSL P07711 1/20 0.50
CTSS P25774 1/20 0.50
ELANE P08246 1/20 0.50
PTGER4 P35408 1/20 0.49
PTGER2 P43116 1/20 0.49

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
SCHEMBL4444864 1.00 ATM (0.60) ATMCYP3A4TSHRCA1CA2
SCHEMBL2851560 1.00 ATM (0.60) ATMCYP3A4TSHRCA1CA2
Hydrochloric Acid SCHEMBL2853606 0.99 ATM (0.59) ATMCYP3A4TSHRCA1CA2
Hydrochloric Acid SCHEMBL2853610 0.99 ATM (0.59) ATMCYP3A4TSHRCA1CA2
SCHEMBL21469067 0.90 ATM (0.68) ATMCYP3A4TSHRMEN1LMNA
SCHEMBL8530402 0.90 ATM (0.68) ATMCYP3A4TSHRMEN1LMNA
SCHEMBL30460502 0.90 ATM (0.68) ATMCYP3A4TSHRMEN1LMNA
SCHEMBL21399728 0.89 CYP3A4 (0.64) ATMCYP3A4TSHRLMNAALDH1A1
SCHEMBL2853604 0.89 ATM (0.57) ATMCYP3A4TSHRCA1CA2
SCHEMBL6558237 0.89 ATM (0.57) ATMCYP3A4TSHRCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10696665-B2 Mutant IDH1 inhibitors ELI LILLY AND COMPANY (US) 2020-06-30 US disclosed
US-20190292175-A1 MUTANT IDH1 INHIBITORS ELI LILLY AND COMPANY 2019-09-26 US disclosed
EP-1378247-B1 VISUAL FUNCTION DISORDER IMPROVING AGENTS SENJU PHARMA CO (JP) 2016-08-24 EP disclosed
CN-1867551-B Phenyl or pyridyl amide compounds as prostaglandin E2 antagonists RAQUALIA PHARMA INC 2013-09-11 CN disclosed
CN-101310771-B Visual function disorder improving agents SENJU PHARMA CO 2012-08-08 CN disclosed
EP-1391454-B1 Substituted benzamide compounds with antihypertensive activity MITSUBISHI TANABE PHARMA CORP (JP) 2012-05-30 EP disclosed
US-7696194-B2 treating with fasudil hydrochloride; enzyme inhibitor of Rho kinase; promoting regeneration of an optic nerve cell SENJU PHARMACEUTICAL CO., LTD. (JP) 2010-04-13 US disclosed
CN-101310771-A Visual function disorder improving agents SENJU PHARMA CO (JP) 2008-11-26 CN disclosed
CN-100411686-C Agent for improving visual function disorder SENJU PHARMA CO (JP) 2008-08-20 CN disclosed
US-20070191420-A1 Kinase inhibitors DEVGEN NV 2007-08-16 US disclosed
WO-2005082367-A1 KINASE INHIBITORS DEVGEN NV (BE) 2005-09-09 WO disclosed
US-20040106646-A1 Visual function disorder improving agents SENJU PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 US disclosed
CN-1501813-A Agent for improving visual function disorder 千寿制药株式会社 2004-06-02 CN disclosed
EP-1391454-A1 Substituted benzamide compounds with antihypertensive activity Mitsubishi Pharma Corporation (JP) 2004-02-25 EP disclosed
EP-1378247-A1 VISUAL FUNCTION IMPROVING AGENTS Senju Pharmaceutical Co., Ltd. (JP) 2004-01-07 EP disclosed
EP-0757038-B1 BENZAMIDE COMPOUND AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2003-11-26 EP disclosed
EP-1195372-A1 N-heterocyclic substituted benzamide derivatives with antihypertensive activity Mitsubishi Pharma Corporation (JP) 2002-04-10 EP disclosed
US-6156766-A Benzamide compounds and pharmaceutical use thereof YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2000-12-05 US disclosed
US-5958944-A TREATMENT OF CIRCULATORY DISEASES IN CORONARY, CEREBRAL, RENAL AND PERIPHERAL ARTERIES, AS A THERAPEUTIC AGENT FOR HYPERTENSION, ANGINA PECTORIS, AND RENAL AND PERIPHERAL CIRCULATION DISORDER, ANTIASTHMATIC AGENT YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-09-28 US disclosed
EP-0757038-A1 BENZAMIDE COMPOUND AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-02-05 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 (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-10696665-B2 Mutant IDH1 inhibitors IDH1, IDH3B, IDH3A ATM 286/4885CYP3A4 3737/4885TSHR 4122/4885
US-20190292175-A1 MUTANT IDH1 INHIBITORS IDH1, IDH3B, IDH3A ATM 286/4885CYP3A4 3737/4885TSHR 4122/4885
US-20040106646-A1 Visual function disorder improving agents ARHGDIA, GAP43, RHOT2 ATM 3841/4885CYP3A4 4867/4885TSHR 3361/4885
US-20070191420-A1 Kinase inhibitors ROCK1, ROCK2, MAP3K20 ATM 617/4885CYP3A4 2766/4885TSHR 3553/4885

“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.