SCHEMBL553954

SCHEMBL553954

COC(=O)CC(CSc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 4/20 0.54
CTRB1 P17538 2/20 0.51
CA2 P00918 1/20 0.47
SYK P43405 1/20 0.46
ATM Q13315 2/20 0.45
ALDH1A1 P00352 2/20 0.45
TRPM8 Q7Z2W7 1/20 0.45
ALOX15 P16050 1/20 0.45
KYNU Q16719 1/20 0.44
ABCB1 P08183 1/20 0.44
CTSK P43235 2/20 0.44
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL553955 1.00 CASP1 (0.54) CASP1CTRB1CA2SYKATM
SCHEMBL7575639 0.89 SYK (0.56) CASP1CTRB1CA2SYKATM
SCHEMBL10966776 0.87 CTRB1 (0.61) CASP1CTRB1SYKATMALDH1A1
SCHEMBL14067148 0.87 CTRB1 (0.50) CASP1CTRB1CA2SYKATM
SCHEMBL10058366 0.86 CASP1 (0.49) CASP1CTRB1CA2SYKATM
SCHEMBL19145116 0.84 CASP1 (0.47) CASP1CTRB1CA2SYKATM
SCHEMBL19014953 0.84 SYK (0.54) CASP1CTRB1SYKATMALDH1A1
SCHEMBL14530318 0.83 SYK (0.60) CASP1CTRB1SYKATMALDH1A1
SCHEMBL10964829 0.83 CTRB1 (0.57) CASP1CTRB1SYKATMALDH1A1
SCHEMBL79250 0.83 CTRB1 (0.57) CASP1CTRB1SYKATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601177-B1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ASTRAZENECA AB (SE) 2017-10-18 EP disclosed
US-20160176906-A1 Chemical Compounds ASTRAZENECA AB (SE) 2016-06-23 US disclosed
US-9248140-B2 Chemical compounds ASTRAZENECA AB (SE) 2016-02-02 US disclosed
US-20150328239-A1 Chemical Compounds ASTRAZENECA AB (SE) 2015-11-19 US disclosed
US-9018381-B2 Chemical compounds ASTRAZENECA AB (SE) 2015-04-28 US disclosed
US-20130310344-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ASTRAZENECA AB (UK) 2013-11-21 US disclosed
EP-2601177-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS AstraZeneca AB (SE) 2013-06-12 EP disclosed
US-20120035134-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-09 US disclosed
WO-2012017251-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ASTRAZENECA AB (SE) 2012-02-09 WO 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-20120035134-A1 CHEMICAL COMPOUNDS BCL2, BCL2L1, BAX CASP1 89/4885CTRB1 2752/4885CA2 420/4885
US-20150328239-A1 Chemical Compounds BCL2, BCL2L1, BAX CASP1 89/4885CTRB1 2752/4885CA2 420/4885
US-20160176906-A1 Chemical Compounds BCL2, BCL2L1, BAX CASP1 89/4885CTRB1 2752/4885CA2 420/4885
US-20130310344-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BCL2, BAX, BCLAF1 CASP1 87/4885CTRB1 1929/4885CA2 3075/4885

“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.