SCHEMBL1964022

SCHEMBL1964022

CS(=O)(=O)c1ccc(C(=O)CSc2ccc(Cl)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.58
▸ KMT2A Q03164 4/20 0.58
▸ MEN1 O00255 3/20 0.58
▸ MAPT P10636 1/20 0.58
▸ CA1 P00915 2/20 0.54
▸ CA2 P00918 2/20 0.54
▸ CA7 P43166 1/20 0.54
▸ CA13 Q8N1Q1 1/20 0.54
▸ HDAC3 O15379 1/20 0.50
▸ HDAC4 P56524 1/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC7 Q8WUI4 1/20 0.50
▸ HDAC2 Q92769 1/20 0.50
▸ HDAC10 Q969S8 1/20 0.50
▸ HDAC11 Q96DB2 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ HDAC9 Q9UKV0 1/20 0.50
▸ HDAC5 Q9UQL6 1/20 0.50
▸ MAOB P27338 1/20 0.50

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
SCHEMBL7876419 0.85 CA2 (0.73) ALDH1A1KMT2AMEN1MAPTCA1
SCHEMBL6826443 0.81 KMT2A (0.63) ALDH1A1KMT2AMEN1MAPTHDAC3
SCHEMBL2549394 0.81 ALDH1A1 (0.63) ALDH1A1KMT2AMEN1MAPTHDAC3
SCHEMBL9787103 0.81 KMT2A (0.63) ALDH1A1KMT2AMEN1MAPTHDAC3
SCHEMBL27542707 0.78 HDAC3 (0.52) KMT2AMAPTHDAC3HDAC4HDAC1
SCHEMBL657544 0.78 RAB9A (0.60) ALDH1A1KMT2AMEN1MAPTCA1
SCHEMBL10874649 0.78 NPC1 (0.65) ALDH1A1KMT2AMEN1MAPTCA1
SCHEMBL28495995 0.78 ALDH1A1 (0.67) ALDH1A1KMT2AMEN1MAPTHDAC3
SCHEMBL10732327 0.76 FFAR1 (0.57) ALDH1A1KMT2AMEN1CA1CA2
SCHEMBL3573514 0.76 PKM (0.51) ALDH1A1CA1CA2CA7CA13

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-2299824-B1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME (US) 2013-06-19 — — EP disclosed
US-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-06-16 — — 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-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, HRH2 ALDH1A1 1185/4885KMT2A 1541/4885MEN1 3407/4885

“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