SCHEMBL7872304

SCHEMBL7872304

CCC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(CC4=C(c5ccc(Cl)cc5)CCCC4)CC3)cc2)cc1C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCL2L1 Q07817 13/20 0.67
▸ BCL2 P10415 11/20 0.65
▸ BAD Q92934 4/20 0.63
▸ BCL2L2 Q92843 3/20 0.62
▸ BCL2L11 O43521 2/20 0.62
▸ MCL1 Q07820 2/20 0.62
▸ ASPH Q12797 2/20 0.62
▸ CYP2C9 P11712 1/20 0.62
▸ MDM4 O15151 1/20 0.59
▸ TP53 P04637 1/20 0.59
▸ BID P55957 1/20 0.59
▸ BAX Q07812 1/20 0.59
▸ BECN1 Q14457 1/20 0.59
▸ BAK1 Q16611 1/20 0.59
▸ BBC3 Q9BXH1 1/20 0.59
▸ HDAC3 O15379 2/20 0.56
▸ HDAC4 P56524 2/20 0.56
▸ HDAC1 Q13547 2/20 0.56
▸ HDAC7 Q8WUI4 2/20 0.56
▸ HDAC2 Q92769 2/20 0.56

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
SCHEMBL14463310 0.95 BCL2 (0.64) BCL2L1BCL2BADBCL2L2BCL2L11
SCHEMBL19424240 0.93 BCL2 (0.72) BCL2L1BCL2BADBCL2L2BCL2L11
SCHEMBL19425083 0.93 BCL2 (0.73) BCL2L1BCL2BADBCL2L2BCL2L11
SCHEMBL19424355 0.92 BCL2 (0.74) BCL2L1BCL2BADBCL2L2BCL2L11
SCHEMBL19424302 0.92 BCL2 (0.61) BCL2L1BCL2BADBCL2L2BCL2L11
SCHEMBL12781273 0.90 BCL2L1 (0.61) BCL2L1BCL2BADBCL2L2BCL2L11
SCHEMBL19425078 0.89 BCL2L1 (0.68) BCL2L1BCL2BAD
SCHEMBL12574586 0.88 BCL2 (0.63) BCL2L1BCL2BADBCL2L2BCL2L11
SCHEMBL15417701 0.88 BCL2 (0.63) BCL2L1BCL2BADBCL2L2BCL2L11
SCHEMBL19424431 0.88 BCL2 (0.66) BCL2L1BCL2BADBCL2L2BCL2L11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8624027-B2 Combination therapy for treating cancer and diagnostic assays for use therein ABBVIE INC. (US) 2014-01-07 — — US disclosed
US-20100227838-A1 Combination Therapy for Treating Cancer and Diagnostic Assays for Use Therein ABBOTT LABORATORIES (US) 2010-09-09 — — US disclosed
US-7709467-B2 Apoptosis promoters ABBOTT LABORATORIES (US) 2010-05-04 — — US disclosed
US-20080287419-A1 APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2008-11-20 — — US disclosed
US-7390799-B2 Apoptosis promoters ABBOTT LABORATORIES (US) 2008-06-24 — — US disclosed
US-20070027135-A1 N-acylsulfonamides; BCL-X1 protein inhibitors; anticarcinogenic agents; bladder cancer; N-(4-(4-((2-(4-chlorophenyl)-5,5-dimethyl-1-cyclohex-1-en-1-yl)methyl)piperazin-1-yl)benzoyl)-4-(((1R)-3-(morpholin-4-yl)-1-((phenylsulfanyl)methyl)propyl)amino)-3-((trifluoromethyl)sulfonyl)benzenesulfonamide ABBVIE INC. 2007-02-01 — — 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 (3 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-20080287419-A1 APOPTOSIS PROMOTERS BAX, API5, BCL2 BCL2L1 12/4885BCL2 3/4885BAD 6/4885
US-20070027135-A1 N-acylsulfonamides; BCL-X1 protein inhibitors; anticarcinogenic agents; bladder cancer; N-(4-(4-((2-(4-chlorophenyl)-5,5-dimethyl-1-cyclohex-1-en-1-yl)methyl)piperazin-1-yl)benzoyl)-4-(((1R)-3-(morpholin-4-yl)-1-((phenylsulfanyl)methyl)propyl)amino)-3-((trifluoromethyl)sulfonyl)benzenesulfonamide BAX, BCL2L1, BCL2A1 BCL2L1 2/4885BCL2 4/4885BAD 9/4885
US-20100227838-A1 Combination Therapy for Treating Cancer and Diagnostic Assays for Use Therein FOLH1, TP53, NTPCR BCL2L1 1781/4885BCL2 2228/4885BAD 1752/4885

“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.

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