SCHEMBL7043473

SCHEMBL7043473

Cc1sc(C(=O)C(=O)O)cc1Br

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DAO P14920 5/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
HCAR3 P49019 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
GSK3B P49841 3/20 0.36
USP2 O75604 1/20 0.35
GPR35 Q9HC97 2/20 0.34
CES2 O00748 2/20 0.33
CES1 P23141 2/20 0.33
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
STING1 Q86WV6 1/20 0.31

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
SCHEMBL1529532 0.83 DAO (0.63) DAOKDM4EMEN1ALDH1A1MAPT
SCHEMBL12472222 0.79 MAPT (0.42) DAOKDM4EMEN1ALDH1A1MAPT
SCHEMBL7043189 0.79 GSK3B (0.57) DAOKDM4EMEN1ALDH1A1MAPT
SCHEMBL19437933 0.78 KDR (0.42) DAOKDM4EMEN1ALDH1A1MAPT
SCHEMBL23538093 0.78 DAO (0.41) DAOKDM4EMEN1ALDH1A1MAPT
SCHEMBL7044853 0.76 DAO (0.44) DAOMEN1KMT2AGSK3BUSP2
SCHEMBL6924930 0.75 KDM4E (0.38) DAOKDM4EMEN1ALDH1A1MAPT
SCHEMBL1529472 0.74 CSNK2A2 (0.45) DAOKDM4EMEN1ALDH1A1MAPT
SCHEMBL10109854 0.72 PTPN2 (0.49) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL6920621 0.71 ALDH1A1 (0.44) DAOKDM4EMEN1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6613786-B2 Treating urinary incontinence, asthma, irritable bowel syndrome or male erectile dysfunction BRISTOL-MYERS SQUIBB COMPANY 2003-09-02 US disclosed
US-20030144333-A1 Thiophenyl triazol-3-one derivatives as smooth muscle relaxants HEWAWASAM PIYASENA (US) 2003-07-31 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-20030144333-A1 Thiophenyl triazol-3-one derivatives as smooth muscle relaxants PDE3A, ADRB2, ADRB3 DAO 3738/4885KDM4E 1943/4885MEN1 3259/4885

“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.