SCHEMBL1700665

SCHEMBL1700665

NS(=O)(=O)c1cnc(OCC2CCC3(CC2)CNC(=O)O3)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.40
IKBKB O14920 2/20 0.36
CHUK O15111 2/20 0.36
CDK2 P24941 10/20 0.35
CDK1 P06493 8/20 0.35
CCNB1 P14635 6/20 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
SMO Q99835 1/20 0.35
SCN9A Q15858 3/20 0.34
CCNA2 P20248 6/20 0.33
CCNA1 P78396 5/20 0.33
CCNB2 O95067 3/20 0.33
CCNB3 Q8WWL7 3/20 0.33
ROCK2 O75116 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 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
SCHEMBL1700489 1.00 BRD4 (0.40) BRD4IKBKBCHUKCDK2CDK1
SCHEMBL1809024 1.00 BRD4 (0.40) BRD4IKBKBCHUKCDK2CDK1
SCHEMBL1700611 0.81 SCN9A (0.43) BRD4IKBKBCHUKCDK2CDK1
SCHEMBL1701821 0.80 BRD4 (0.37) BRD4IKBKBCHUKCDK2CDK1
SCHEMBL1701820 0.80 BRD4 (0.37) BRD4IKBKBCHUKCDK2CDK1
SCHEMBL1810632 0.80 BRD4 (0.37) BRD4IKBKBCHUKCDK2CDK1
SCHEMBL1700477 0.79 BRD4 (0.43) BRD4IKBKBCHUKCDK2CDK1
SCHEMBL1700480 0.79 BRD4 (0.43) BRD4IKBKBCHUKCDK2CDK1
SCHEMBL31286227 0.79 BRD4 (0.43) BRD4IKBKBCHUKCDK2CDK1
SCHEMBL1700479 0.79 BRD4 (0.43) BRD4IKBKBCHUKCDK2CDK1

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
EP-2576546-B1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE BAHAMAS LTD (BS) 2015-07-22 EP disclosed
US-9034875-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2015-05-19 US disclosed
US-8580794-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2013-11-12 US disclosed
US-20130267514-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2013-10-10 US disclosed
EP-2576546-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbvie Inc. (US) 2013-04-10 EP disclosed
WO-2011149492-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-12-01 WO disclosed
US-20110124628-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-05-26 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 (2 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-20130267514-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 BRD4 286/4885IKBKB 86/4885CHUK 111/4885
US-20110124628-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 BRD4 286/4885IKBKB 86/4885CHUK 111/4885

“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.