SCHEMBL2951950

SCHEMBL2951950

COC(=O)c1ccc(-c2ccc3scc(CC#N)c3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.50
MTNR1A P48039 8/20 0.40
MTNR1B P49286 4/20 0.40
EGFR P00533 1/20 0.40
ERN1 O75460 1/20 0.40
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
MYC P01106 1/20 0.36
WDR5 P61964 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CG P48736 1/20 0.36
SGK1 O00141 1/20 0.35
CAMKK2 Q96RR4 1/20 0.35

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
SCHEMBL2943344 0.85 EGFR (0.46) CYP2A6MTNR1AMTNR1BEGFRERN1
SCHEMBL2943649 0.78 ERN1 (0.46) CYP2A6EGFRERN1CA12CA1
SCHEMBL17912702 0.77 HDAC6 (0.53) EGFRCA1CA2HDAC10HDAC11
SCHEMBL2943724 0.75 ERN1 (0.59) CYP2A6EGFRERN1CA12CA1
SCHEMBL2968704 0.74 CYP2A6 (0.47) CYP2A6MTNR1AMTNR1BCA12CA1
SCHEMBL19714028 0.73 EGFR (0.43) EGFRCA1CA2SGK1CAMKK2
SCHEMBL2945363 0.73 CMA1 (0.44) EGFRERN1CA12CA1CA2
SCHEMBL5548208 0.73 KDM4E (0.45) EGFRERN1CA12CA1CA2
SCHEMBL8431982 0.71 CYP2A6 (0.63) CYP2A6MTNR1AMTNR1BCA2
SCHEMBL5349367 0.69 MTNR1A (0.71) MTNR1AMTNR1BMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754886-B2 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES (US) 2010-07-13 US disclosed
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2009-05-28 US disclosed
US-7504512-B2 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES (US) 2009-03-17 US disclosed
EP-1318978-B1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LAB (US) 2006-02-08 EP disclosed
US-20040192681-A1 N-acylsulfonamide apoptosis promoters ABBVIE INC. 2004-09-30 US disclosed
US-6720338-B2 BCL-X1 INHIBITING COMPOSITIONS AND METHODS OF PROMOTING APOPTOSIS IN A MAMMAL ABBOTT LABORATORIES 2004-04-13 US disclosed
US-20020086887-A1 N-Acylsulfonamide apoptosis promoters ABBVIE INC. 2002-07-04 US disclosed
US-20020055631-A1 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES 2002-05-09 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 (4 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-20020086887-A1 N-Acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 CYP2A6 1825/4885MTNR1A 2739/4885MTNR1B 2549/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 CYP2A6 2122/4885MTNR1A 2788/4885MTNR1B 2528/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 CYP2A6 1825/4885MTNR1A 2739/4885MTNR1B 2549/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR CYP2A6 2122/4885MTNR1A 3261/4885MTNR1B 2789/4885

“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.