SCHEMBL5104631

SCHEMBL5104631

Cc1cc(C)c(C(=O)O)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
DAO P14920 4/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 3/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
GPR35 Q9HC97 2/20 0.41
GFER P55789 1/20 0.40
HSD17B10 Q99714 1/20 0.40
BCL2L1 Q07817 1/20 0.38
MCL1 Q07820 1/20 0.38
TSHR P16473 2/20 0.38
HPGD P15428 1/20 0.38
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL364130 0.82 GPR35 (0.44) PKMNPSR1RXFP1DAOALDH1A1
SCHEMBL102004 0.81 ALDH1A1 (0.40) PKMNPSR1RXFP1DAOALDH1A1
SCHEMBL3057931 0.79 PKM (0.37) PKMNPSR1RXFP1DAOALDH1A1
SCHEMBL4547877 0.79 ALDH1A1 (0.55) PKMNPSR1RXFP1DAOALDH1A1
SCHEMBL3093344 0.79 DAO (0.65) PKMNPSR1RXFP1DAOALDH1A1
SCHEMBL7965972 0.79 IKBKB (0.42) PKMNPSR1RXFP1DAOALDH1A1
SCHEMBL243572 0.77 KDM4E (0.42) PKMNPSR1RXFP1DAOALDH1A1
SCHEMBL12104573 0.77 PKM (0.48) PKMNPSR1RXFP1DAOALDH1A1
SCHEMBL4971298 0.77 PKM (0.44) PKMNPSR1RXFP1DAOALDH1A1
SCHEMBL12917930 0.77 DAO (0.42) PKMNPSR1RXFP1DAOALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12410152-B2 Oxazole and thioazole-type cullin ring ubiquitin ligase compounds and uses thereof PROXYGEN GMBH (AT) 2025-09-09 US disclosed
WO-2024054624-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-03-14 WO disclosed
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-12-12 US disclosed
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-12-12 US disclosed
US-11712438-B2 Phenyl derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-08-01 US disclosed
US-11712438-B2 Phenyl derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-08-01 US disclosed
US-20230124700-A1 OXAZOLE AND THIOAZOLE-TYPE CULLIN RING UBIQUITIN LIGASE COMPOUNDS AND USES THEREOF CEMM - FORSCHUNGSZENTRUM FÜR MOLEKULARE MEDIZIN GMBH (AT) 2023-04-20 US disclosed
US-20230124700-A1 OXAZOLE AND THIOAZOLE-TYPE CULLIN RING UBIQUITIN LIGASE COMPOUNDS AND USES THEREOF CEMM - FORSCHUNGSZENTRUM FÜR MOLEKULARE MEDIZIN GMBH (AT) 2023-04-20 US disclosed
EP-4045142-A1 OXAZOLE AND THIOAZOLE-TYPE CULLIN RING UBIQUITIN LIGASE COMPOUNDS AND USES THEREOF CeMM - Forschungszentrum für Molekulare Medizin GmbH (AT) 2022-08-24 EP disclosed
US-11325899-B2 Benzofurane and benzothiophene derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2022-05-10 US disclosed
US-6924302-B2 Substituted triazole diamine derivatives as kinase inhibitors ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2005-08-02 US disclosed
US-20040077699-A1 Substituted triazole diamine derivatives as kinase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-04-22 US disclosed
EP-1355889-A1 SUBSTITUTED TRIAZOLE DIAMINE DERIVATIVES AS KINASE INHIBITORS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-10-29 EP disclosed
US-6559140-B2 Cyclic and bicyclic diamino histamine-3 receptor antagonists ABBOTT LABORATORIES 2003-05-06 US disclosed
WO-2002057240-A1 SUBSTITUTED TRIAZOLE DIAMINE DERIVATIVES AS KINASE INHIBITORS ORTHO MC NEIL PHARMACEUTICAL, INC. (US) 2002-07-25 WO disclosed
US-20010049367-A1 Cyclic and bicyclic diamino histamine-3 receptor antagonists ABBVIE INC. 2001-12-06 US disclosed
WO-2001066534-A2 CYCLIC AND BICYCLIC DIAMINO HISTAMINE-3 RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 2001-09-13 WO disclosed
US-5840917-A ADMINISTERING TO MAMMAL TO ERADICATE HELICOBACTER PYLORI TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-11-24 US disclosed
EP-0852498-A1 PHOSPHORYLAMIDES, THEIR PREPARATION AND USE Takeda Chemical Industries, Ltd. (JP) 1998-07-15 EP disclosed
WO-1997011705-A1 PHOSPHORYLAMIDES, THEIR PREPARATION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-04-03 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 (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-20010049367-A1 Cyclic and bicyclic diamino histamine-3 receptor antagonists HRH4, HRH2, HRH3 PKM 3440/4885NPSR1 120/4885RXFP1 530/4885
US-12410152-B2 Oxazole and thioazole-type cullin ring ubiquitin ligase compounds and uses thereof CUL1, CUL5, CUL3 PKM 1673/4885NPSR1 4534/4885RXFP1 3952/4885
US-20230124700-A1 OXAZOLE AND THIOAZOLE-TYPE CULLIN RING UBIQUITIN LIGASE COMPOUNDS AND USES THEREOF CUL1, CUL5, CUL3 PKM 1673/4885NPSR1 4534/4885RXFP1 3952/4885
US-11712438-B2 Phenyl derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 PKM 1961/4885NPSR1 295/4885RXFP1 135/4885
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 PKM 2638/4885NPSR1 375/4885RXFP1 286/4885
US-20040077699-A1 Substituted triazole diamine derivatives as kinase inhibitors MAP2K2, PRKDC, MAP2K3 PKM 896/4885NPSR1 3939/4885RXFP1 4272/4885
US-11325899-B2 Benzofurane and benzothiophene derivatives as PGE2 receptor modulators PTGER4, PTGER1, PTGER2 PKM 2680/4885NPSR1 356/4885RXFP1 215/4885

“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.