SCHEMBL9836065

SCHEMBL9836065

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.48
RXFP1 Q9HBX9 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KDM4E B2RXH2 6/20 0.41
MAPT P10636 4/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 5/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
GPR35 Q9HC97 2/20 0.39
DAO P14920 4/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.38
HPGD P15428 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
IKBKB O14920 1/20 0.38

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
Hydrochloric Acid SCHEMBL27510835 0.98 PKM (0.47) PKMRXFP1NPSR1KDM4EMAPT
SCHEMBL23096771 0.83 MAPT (0.53) PKMRXFP1NPSR1KDM4EMAPT
SCHEMBL15943484 0.83 IKBKB (0.50) PKMRXFP1KDM4EMAPTLMNA
SCHEMBL10737979 0.79 MAPT (0.35) PKMRXFP1NPSR1KDM4EMAPT
SCHEMBL166726 0.78 MAPT (0.54) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL5493304 0.77 IKBKB (0.40) PKMRXFP1NPSR1KDM4EMAPT
SCHEMBL5104631 0.77 PKM (0.52) PKMRXFP1NPSR1KDM4EMAPT
Hydrochloric Acid SCHEMBL10735502 0.76 MAPT (0.53) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL3229132 0.76 GPR35 (0.45) PKMRXFP1KDM4EMAPTLMNA
SCHEMBL4547877 0.76 ALDH1A1 (0.55) PKMRXFP1NPSR1KDM4EMAPT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476278-B2 Thiazole Derivatives as protein kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-07-02 US disclosed
US-20100331313-A1 Thiazole Derivatives as Protein Kinase Inhibitors SCHERING CORPORATION 2010-12-30 US disclosed
EP-0269295-B1 THERAPEUTIC AGENTS The Boots Company PLC (GB) 1991-06-26 EP disclosed
US-4877793-A CARDIOVASCULAR DISORDERS THE BOOTS COMPANY, PLC (GB) 1989-10-31 US disclosed
EP-0269295-A1 Therapeutic agents The Boots Company PLC (GB) 1988-06-01 EP disclosed
EP-0025643-B1 OXO-PYRIDO(1,2-A)THIENOPYRIMIDINE COMPOUNDS, PROCESSES FOR THEIR PRODUCTION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID COMPOUNDS WARNER-LAMBERT COMPANY (US) 1983-08-17 EP disclosed
US-4332947-A TREATMENT OF ALLERGIES WARNER-LAMBERT COMPANY (US) 1982-06-01 US disclosed
US-4287340-A USEFUL AS ANTIALLERGENS WARNER-LAMBERT COMPANY (US) 1981-09-01 US disclosed
EP-0025643-A1 Oxo-pyrido(1,2-a)thienopyrimidine compounds, processes for their production, and pharmaceutical compositions containing said compounds WARNER-LAMBERT COMPANY (US) 1981-03-25 EP disclosed
US-4230707-A ANTIALLERGENS WARNER-LAMBERT COMPANY (US) 1980-10-28 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 (1 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-20100331313-A1 Thiazole Derivatives as Protein Kinase Inhibitors DAPK2, DAPK1, JAK1 PKM 1013/4885RXFP1 4361/4885NPSR1 3445/4885

“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.