SCHEMBL4969875

SCHEMBL4969875

Cc1c(Cl)cc(NC(=O)C(Br)C(C)C)c(O)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.38
MAPK1 P28482 1/20 0.34
CXCR2 P25025 2/20 0.33
CXCR1 P25024 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
GPR35 Q9HC97 3/20 0.32
HSPA5 P11021 1/20 0.32
HDAC1 Q13547 1/20 0.31
ROCK2 O75116 2/20 0.30
MAPK14 Q16539 1/20 0.30
CASR P41180 1/20 0.30

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
SCHEMBL4970600 0.81 HTT (0.39) HTTMAPK1MEN1ALDH1A1KMT2A
SCHEMBL4968591 0.81 HTT (0.39) HTTMAPK1MEN1ALDH1A1KMT2A
SCHEMBL4968978 0.79 HSPA5 (0.49) HTTMAPK1MEN1ALDH1A1KMT2A
SCHEMBL4968965 0.79 HSPA5 (0.49) HTTMAPK1MEN1ALDH1A1KMT2A
SCHEMBL4967536 0.78 HTT (0.39) HTTTRPV1MEN1ALDH1A1KMT2A
SCHEMBL4969103 0.78 HTT (0.39) HTTTRPV1MEN1ALDH1A1KMT2A
SCHEMBL6416431 0.78 GPR35 (0.44) TRPV1MEN1ALDH1A1KMT2AGPR35
SCHEMBL7027625 0.77 ALDH1A1 (0.41) HTTMEN1ALDH1A1KMT2AHSPA5
SCHEMBL5647550 0.75 CA1 (0.41) MEN1ALDH1A1KMT2AGPR35CASR
SCHEMBL11052776 0.75 MAPT (0.32) MAPK1MEN1KMT2AGPR35MAPK14

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
EP-1985297-A1 CARBOXYLIC ACID COMPOUND AND USE THEREOF Japan Tobacco, Inc. (JP) 2008-10-29 EP disclosed
US-20070197512-A1 Carboxylic Acid Compounds and Use Thereof JAPAN TOBACCO INC. (JP) 2007-08-23 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-20070197512-A1 Carboxylic Acid Compounds and Use Thereof GLS, SLC10A1, SOAT1 HTT 772/4885MAPK1 1189/4885CXCR2 1605/4885

“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.