SCHEMBL1098115

SCHEMBL1098115

COc1cc(Br)c(CC(=O)O)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.55
CA2 P00918 4/20 0.55
CA12 O43570 3/20 0.55
CA9 Q16790 3/20 0.55
LCK P06239 1/20 0.55
FYN P06241 1/20 0.55
MTNR1A P48039 1/20 0.54
MTNR1B P49286 1/20 0.54
HSD17B10 Q99714 1/20 0.53
POLB P06746 1/20 0.52
KMT2A Q03164 1/20 0.52
GAA P10253 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CYP3A4 P08684 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
P2RX7 Q99572 1/20 0.46
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL30554807 1.00 CA1 (0.55) CA1CA2CA12CA9LCK
SCHEMBL1096991 0.88 GAA (0.53) CA1CA2CA12CA9LCK
SCHEMBL5099200 0.88 GAA (0.53) CA1CA2CA12CA9LCK
SCHEMBL2774619 0.88 LCK (0.54) CA1CA2CA12CA9LCK
SCHEMBL1097015 0.88 HSD17B10 (0.49) CA1CA2CA12CA9LCK
SCHEMBL1096723 0.88 CA1 (0.46) CA1CA2CA12CA9LCK
SCHEMBL14123786 0.87 HSD17B10 (0.56) CA1CA2CA12CA9LCK
Hydrochloric Acid SCHEMBL1096252 0.87 CA1 (0.45) CA1CA2CA12CA9LCK
Hydrochloric Acid SCHEMBL1098120 0.86 HSD17B10 (0.47) CA1CA2CA12CA9LCK
SCHEMBL1098529 0.86 HSD17B10 (0.47) CA1CA2CA12CA9LCK

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
CN-116675642-A Preparation method of chiral aporphine alkaloid 智简生物科技(上海)有限公司 2023-09-01 CN disclosed
EP-2871187-B1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT SNU R&DB FOUNDATION (KR) 2017-09-20 EP disclosed
EP-2148865-B1 PYRAZOLE INHIBITORS OF WNT SIGNALING GENENTECH INC (US) 2017-05-17 EP disclosed
EP-1893575-B1 2-(1H-INDOLYLSULFANYL)-ARYL AMINE DERIVATIVES H LUNDBECK AS (DK) 2017-01-11 EP disclosed
US-8153808-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-04-10 US disclosed
US-8153808-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-04-10 US disclosed
US-8153808-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-04-10 US disclosed
CN-102264700-A Dihydropyridone amides used as medicaments for treatment of autoimmunity and inflammatory disorders 2011-11-30 CN disclosed
EP-2382192-A2 DIHYDROPYRIDONE AMIDES USEFUL AS MEDICAMENTS FOR THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES F. Hoffmann-La Roche AG (CH) 2011-11-02 EP disclosed
WO-2010072647-A2 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO disclosed
US-20100137394-A1 PYRAZOLE INHIBITORS OF WNT SIGNALING GRENENTECH, INC. (US) 2010-06-03 US disclosed
EP-2148865-A1 PYRAZOLE INHIBITORS OF WNT SIGNALING Genentech, Inc. (US) 2010-02-03 EP disclosed
US-7629473-B2 2-(1H-indolylsulfanyl)-aryl amine derivatives H. LUNDBECK A/S (DK) 2009-12-08 US disclosed
WO-2008137408-A1 PYRAZOLE INHIBITORS OF WNT SIGNALING GENENTECH, INC. (US) 2008-11-13 WO disclosed
EP-1893575-A2 2-(1H-INDOLYLSULFANYL)-ARYL AMINE DERIVATIVES H.Lundbeck A/S (DK) 2008-03-05 EP disclosed
WO-2006134499-A2 2-(1H-INDOLYLSULFANYL)-ARYL AMINE DERIVATIVES H. LUNDBECK A/S (DK) 2006-12-21 WO disclosed
US-20060287382-A1 2-(1H-indolylsulfanyl)-aryl amine derivatives H. LUNDBECK A/S (DK) 2006-12-21 US disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
US-5017569-A Cephalosporin derivatives ICI PHARMA (FR) 1991-05-21 US 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 (2 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-20100137394-A1 PYRAZOLE INHIBITORS OF WNT SIGNALING WNT1, WNT3A, CTNNB1 CA1 4784/4885CA2 4729/4885CA12 4866/4885
US-20060287382-A1 2-(1H-indolylsulfanyl)-aryl amine derivatives CYP11B2, CYP1A2, CYP4B1 CA1 3108/4885CA2 3205/4885CA12 1354/4885

“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.