SCHEMBL1044787

SCHEMBL1044787

Cc1cc(C)c(C(=O)O)[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 3/20 0.39
DAO P14920 2/20 0.39
HCAR2 Q8TDS4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
GPR17 Q13304 1/20 0.37
MAPK1 P28482 1/20 0.36
RPA1 P27694 1/20 0.36
MCL1 Q07820 1/20 0.36
TPMT P51580 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35
GPR35 Q9HC97 1/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL6622235 0.96 NOTUM (0.39) NOTUMKDM4EGAAHPGDHSD17B10
SCHEMBL23758516 0.83 ALDH1A1 (0.40) NOTUMKDM4EGAAHPGDHSD17B10
SCHEMBL3728873 0.81 CYP1A2 (0.40) GAAALDH1A1L3MBTL1MAPK1MEN1
SCHEMBL4472003 0.79 ALOX15 (0.48) KDM4EGAAHPGDHSD17B10ALDH1A1
SCHEMBL17883332 0.79 ALDH1A1 (0.38) ALDH1A1MAPK1MAPTPOLB
SCHEMBL3105456 0.77 NOTUM (0.39) NOTUMDAOHCAR2GPR17
SCHEMBL3060385 0.77 KDM4E (0.39) NOTUMKDM4EGAAHPGDHSD17B10
SCHEMBL31386913 0.77 NOTUM (0.39) NOTUMKDM4EGAAHPGDHSD17B10
SCHEMBL14157647 0.77 GPR35 (0.41) NOTUMKDM4EGAAHPGDHSD17B10
SCHEMBL15979650 0.77 ALDH1A1 (0.41) KDM4EGAAALDH1A1L3MBTL1GPR17

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200261383-A1 PHARMACEUTICAL COMPOSITIONS KALVISTA PHARMACEUTICALS LIMITED (GB) 2020-08-20 US claimed
EP-3664780-A1 PHARMACEUTICAL COMPOSITIONS Kalvista Pharmaceuticals Limited (GB) 2020-06-17 EP claimed
EP-2729443-B3 BENZYLAMINE DERIVATIVES AS INHIBITORS OF PLASMA KALLIKREIN KALVISTA PHARMACEUTICALS LTD (GB) 2020-02-12 EP claimed
US-10478409-B2 Pharmaceutical compositions KALVISTA PHARMACEUTICALS LIMITED (GB) 2019-11-19 US claimed
EP-2943181-B1 PHARMACEUTICAL COMPOSITIONS KALVISTA PHARMACEUTICALS LTD (GB) 2019-04-10 EP claimed
US-20190070149-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2019-03-07 US claimed
WO-2019030540-A1 PHARMACEUTICAL COMPOSITIONS KALVISTA PHARMACEUTICALS LIMITED (GB) 2019-02-14 WO claimed
US-20180021271-A1 Pharmaceutical Compositions KALVISTA PHARMACEUTICALS LTD (GB) 2018-01-25 US claimed
US-9849100-B2 Pharmaceutical compositions suitable for parenteral administration comprising aqueous suspensions of benzylamine derivatives having low solubilities KALVISTA PHARMACEUTICALS LIMITED (GB) 2017-12-26 US claimed
EP-2948454-B1 TRIAZINE COMPOUNDS AND A PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENT & IND RES AN INDIAN REGISTERED BODY INCORPORATED UNDER THE REGISTRATION OF SOCIETI (IN) 2017-05-31 EP claimed
EP-1680124-A2 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS Pfizer Products Incorporated (US) 2006-07-19 EP claimed
US-6911458-B2 Compounds ASTRA ZENECA (SE) 2005-06-28 US claimed
US-20050096375-A1 Bicyclic [3.1.0] derivatives as glycine transporter inhibitors PFIZER INC. 2005-05-05 US claimed
US-20050090494-A1 Novel compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2005-04-28 US claimed
WO-2005037216-A2 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS PFIZER PRODUCTS INC. (US) 2005-04-28 WO claimed
JP-2004507461-A 2004-03-11 JP claimed
CN-1476434-A Novel compounds 2004-02-18 CN claimed
US-20030162772-A1 Novel compounds ASTRAZENECA AB (SE) 2003-08-28 US claimed
EP-1299357-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2003-04-09 EP claimed
WO-2001098273-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-12-27 WO claimed

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

For each of this compound's patents that has machine-readable text (7 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-20190070149-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HTR5A, HTR2A, HTR1A NOTUM 2411/4885KDM4E 2520/4885GAA 1403/4885
US-20200261383-A1 PHARMACEUTICAL COMPOSITIONS ADCY9, PDE6D, PDE6G NOTUM 1438/4885KDM4E 2993/4885GAA 1092/4885
US-20050090494-A1 Novel compounds CHRM2, CHRM1, C1R NOTUM 3275/4885KDM4E 1451/4885GAA 2229/4885
US-20050096375-A1 Bicyclic [3.1.0] derivatives as glycine transporter inhibitors SLC6A5, SLC1A5, SLC6A3 NOTUM 2071/4885KDM4E 2032/4885GAA 1239/4885
US-20180021271-A1 Pharmaceutical Compositions PDE6D, ABCC9, PDE6H NOTUM 3945/4885KDM4E 3115/4885GAA 1810/4885
US-20030162772-A1 Novel compounds RPS4X, RPS4Y1, MRPS18A NOTUM 2579/4885KDM4E 1288/4885GAA 962/4885
US-10478409-B2 Pharmaceutical compositions PDE6D, ABCC9, PDE6H NOTUM 3945/4885KDM4E 3115/4885GAA 1810/4885

“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.