SCHEMBL1957751

SCHEMBL1957751

CC[C@]1(O)CC[C@@H](COc2ncc(S(N)(=O)=O)cc2Cl)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
SCN9A Q15858 8/20 0.39
CNR2 P34972 1/20 0.36
CDK2 P24941 9/20 0.36
CCNA2 P20248 5/20 0.36
CCNA1 P78396 5/20 0.36
SCN5A Q14524 1/20 0.35
CDK1 P06493 7/20 0.35
CCNB1 P14635 5/20 0.35
CCNT1 O60563 4/20 0.35
CDK7 P50613 4/20 0.35
CDK9 P50750 4/20 0.35
CCNH P51946 4/20 0.35
CDK5 Q00535 4/20 0.35
IKBKB O14920 1/20 0.33
CHUK O15111 1/20 0.33
CCNB2 O95067 2/20 0.33
CCNB3 Q8WWL7 2/20 0.33
NEK2 P51955 1/20 0.33
ROCK2 O75116 1/20 0.33

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
SCHEMBL1957754 1.00 BRD4 (0.39) BRD4SCN9ACNR2CDK2CCNA2
SCHEMBL1957755 1.00 BRD4 (0.39) BRD4SCN9ACNR2CDK2CCNA2
SCHEMBL1700480 0.89 BRD4 (0.43) BRD4SCN9ACNR2CDK2CCNA2
SCHEMBL31286227 0.89 BRD4 (0.43) BRD4SCN9ACNR2CDK2CCNA2
SCHEMBL1700477 0.89 BRD4 (0.43) BRD4SCN9ACNR2CDK2CCNA2
SCHEMBL1700479 0.89 BRD4 (0.43) BRD4SCN9ACNR2CDK2CCNA2
SCHEMBL1700611 0.84 SCN9A (0.43) BRD4SCN9ACDK2CCNA2CCNA1
SCHEMBL1700454 0.79 BRD4 (0.44) BRD4SCN9ACDK2CCNA2CCNA1
SCHEMBL1700968 0.79 BRD4 (0.44) BRD4SCN9ACDK2CCNA2CCNA1
SCHEMBL1700455 0.79 BRD4 (0.44) BRD4SCN9ACDK2CCNA2CCNA1

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-2507229-B1 SULFONAMIDE DERIVATIVES AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBVIE INC (US) 2016-10-05 EP disclosed
US-9073855-B2 BCL-2 selective apoptosis-inducing agents for the treatment of cancer and immune diseases ABBVIE INC. (US) 2015-07-07 US disclosed
US-9045420-B2 Bcl-2-selective apoptosis-inducing agents for the treatment of cancer and immune diseases ABBVIE INC. (US) 2015-06-02 US disclosed
US-20140107119-A1 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBVIE INC. (US) 2014-04-17 US disclosed
US-8586754-B2 BCL-2-selective apoptosis-inducing agents for the treatment of cancer and immune diseases ABBVIE INC. (US) 2013-11-19 US disclosed
US-20130296295-A1 BCL-2 SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBVIE INC (US) 2013-11-07 US disclosed
EP-2507229-A1 SULFONAMIDE DERIVATIVES AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES Abbott Laboratories (US) 2012-10-10 EP disclosed
WO-2011068561-A1 SULFONAMIDE DERIVATIVES AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-06-09 WO disclosed
US-20100298321-A1 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-11-25 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-20130296295-A1 BCL-2 SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES BCL2, BCL3, BCL2L1 BRD4 203/4885SCN9A 4489/4885CNR2 2764/4885
US-20140107119-A1 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES BCL2, BCL3, BCL2L1 BRD4 155/4885SCN9A 4475/4885CNR2 2729/4885
US-20100298321-A1 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES BCL2, BCL3, BCL2L1 BRD4 155/4885SCN9A 4475/4885CNR2 2729/4885

“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.