SCHEMBL12094975

SCHEMBL12094975

[CH2]c1ccc(NS(C)(=O)=O)nc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 1/20 0.41
▸ KDM4E B2RXH2 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ MAPT P10636 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ AURKA O14965 1/20 0.36
▸ CDK1 P06493 1/20 0.36
▸ CCNB1 P14635 1/20 0.36
▸ AOC3 Q16853 1/20 0.36
▸ KEAP1 Q14145 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ ALOX15 P16050 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ GLO1 Q04760 1/20 0.34

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
SCHEMBL12508238 0.78 KDM4E (0.58) PIK3CGKDM4EALDH1A1MAPTGAA
SCHEMBL1973088 0.77 DEGS1 (0.46) PIK3CG
SCHEMBL30011424 0.77 ABL1 (0.48) PIK3CGAURKACDK1CCNB1ABL1
SCHEMBL7351894 0.77 CA12 (0.46) PIK3CGKDM4EALDH1A1MAPTGAA
SCHEMBL12017954 0.77 ABL1 (0.48) PIK3CGAURKACDK1CCNB1ABL1
SCHEMBL12018120 0.77 KDM4E (0.60) KDM4EALDH1A1POLBKMT2AMEN1
SCHEMBL12266080 0.77 ALDH1A1 (0.54) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL1974343 0.76 BRD4 (0.48) KDM4EALDH1A1MAPTGAAPOLB
SCHEMBL12631397 0.74 TSHR (0.46) PIK3CGKDM4EALDH1A1MAPTGAA
SCHEMBL13662053 0.74 PTGS1 (0.46) PIK3CGKDM4EALDH1A1MAPTGAA

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-8263597-B2 Indazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-11 — — US disclosed
US-20110294808-A1 Indazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-01 — — 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-20110294808-A1 Indazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCRL2 PIK3CG 3372/4885KDM4E 4244/4885ALDH1A1 911/4885

“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.

Send feedback