SCHEMBL3959624

SCHEMBL3959624

NC(=O)CCCSc1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.75
CYP1A2 P05177 2/20 0.58
CYP2D6 P10635 2/20 0.58
CYP2C19 P33261 2/20 0.58
CYP3A4 P08684 1/20 0.58
HDAC3 O15379 1/20 0.57
HDAC4 P56524 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57
MAPK1 P28482 1/20 0.54
LMNA P02545 3/20 0.51
FFAR1 O14842 1/20 0.50
RAB9A P51151 6/20 0.49

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
SCHEMBL953807 0.90 CYP1A2 (0.65) ALDH1A1CYP1A2CYP2D6CYP2C19CYP3A4
SCHEMBL1932191 0.86 ALDH1A1 (1.00) ALDH1A1CYP1A2CYP2D6CYP2C19CYP3A4
SCHEMBL8160357 0.82 ALDH1A1 (0.72) ALDH1A1CYP1A2CYP2D6CYP2C19CYP3A4
SCHEMBL27271335 0.82 ALDH1A1 (0.72) ALDH1A1CYP1A2CYP2D6CYP2C19CYP3A4
SCHEMBL660739 0.81 PKM (0.62) ALDH1A1CYP1A2CYP2D6CYP2C19CYP3A4
SCHEMBL27271392 0.81 ALDH1A1 (0.70) ALDH1A1CYP1A2CYP2D6CYP2C19CYP3A4
SCHEMBL9775226 0.81 NPC1 (0.70) ALDH1A1CYP1A2CYP2D6CYP2C19CYP3A4
SCHEMBL2351099 0.80 ALDH1A1 (0.89) ALDH1A1CYP1A2CYP2D6CYP2C19CYP3A4
SCHEMBL1145416 0.79 ALDH1A1 (0.68) ALDH1A1CYP1A2CYP2D6CYP2C19CYP3A4
SCHEMBL9463394 0.79 ALDH1A1 (0.73) ALDH1A1CYP1A2CYP2D6CYP2C19CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809352-B2 Sulfonamides as inhibitors of Bcl-2 family proteins for the treatments of cancer NOVARTIS AG (CH) 2014-08-19 US disclosed
EP-2475661-A1 SULFONAMIDES AS INHIBITORS OF BCL-2 FAMILY PROTEINS FOR THE TREATMENT OF CANCER Novartis AG (CH) 2012-07-18 EP disclosed
US-20120165298-A1 SULFONAMIDE COMPOUNDS NOVARTIS AG (CH) 2012-06-28 US disclosed
WO-2009036035-A1 BCL-2 INHIBITORS CURIS, INC. (US) 2009-03-19 WO disclosed
EP-1318978-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS Abbott Laboratories (US) 2003-06-18 EP disclosed
WO-2002024636-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2002-03-28 WO disclosed
US-4950674-A Arylalkylheterocyclic amines,N-substituted by aryloxyalkyl group in a method for allergy treatment A. H. ROBINS COMPANY, INCORPORATED (US) 1990-08-21 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-20120165298-A1 SULFONAMIDE COMPOUNDS BCLAF1, BCL2L11, BCL2 ALDH1A1 2784/4885CYP1A2 3542/4885CYP2D6 4266/4885

“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.