SCHEMBL16637906

SCHEMBL16637906

O=C(O)N1Cc2cccc(O)c2C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRAP1 Q12931 11/20 0.43
HSP90B1 P14625 6/20 0.42
HSP90AA1 P07900 3/20 0.42
HSP90AB1 P08238 2/20 0.42
BCL2L1 Q07817 1/20 0.41
BAD Q92934 1/20 0.41
NOTUM Q6P988 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C1 Q04828 1/20 0.41
ABHD6 Q9BV23 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
DRD1 P21728 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL16269409 0.84 DRD1 (0.47) HSP90AA1BCL2L1BADNOTUMAKR1C3
SCHEMBL2804587 0.84 AKR1C3 (0.50) TRAP1HSP90B1HSP90AA1HSP90AB1BCL2L1
SCHEMBL11569116 0.84 NOTUM (0.63) TRAP1HSP90B1HSP90AA1HSP90AB1BCL2L1
SCHEMBL7946982 0.81 TRAP1 (0.52) TRAP1NOTUMABHD6
SCHEMBL16269364 0.80 AKR1C3 (0.42) TRAP1HSP90B1HSP90AA1HSP90AB1NOTUM
SCHEMBL4437645 0.80 ABHD6 (0.57) TRAP1HSP90B1HSP90AA1NOTUMAKR1C3
SCHEMBL497487 0.80 TRAP1 (0.56) TRAP1HSP90B1NOTUMABHD6
SCHEMBL3469584 0.80 TRAP1 (0.53) TRAP1NOTUMAKR1C3AKR1C1
SCHEMBL31504518 0.80 AKR1C3 (0.42) TRAP1HSP90B1HSP90AA1HSP90AB1NOTUM
SCHEMBL30772456 0.80 TRAP1 (0.56) TRAP1HSP90B1NOTUMABHD6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023240024-A1 SULFAMIDE DERIVATIVES AS CYCLIN-DEPENDENT KINASE 2 INHIBITORS NIKANG THERAPEUTICS, INC. (US) 2023-12-14 WO disclosed
US-11833162-B2 Macrocyclic derivatives, process for preparing same and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2023-12-05 US disclosed
EP-3700911-B1 NOVEL MACROCYCLIC DERIVATIVES, PROCESS FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2023-09-06 EP disclosed
EP-3700911-A1 NOVEL MACROCYCLIC DERIVATIVES, PROCESS FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Les Laboratoires Servier SAS (FR) 2020-09-02 EP disclosed
US-20200253993-A1 NOVEL MACROCYCLIC DERIVATIVES, PROCESS FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2020-08-13 US disclosed
EP-3055301-B1 (2-(5-ISOINDOLIN-2-YL)PYRIMIDIN-4-YL)-AMINE DERIVATIVES AS RHO KINASE INHIBITORS FOR TREATING AUTOIMMUNE DISEASES KADMON CORP LLC (US) 2019-11-20 EP disclosed
US-10125144-B2 Rho kinase inhibitors KADMON CORPORATION, LLC (US) 2018-11-13 US disclosed
US-20160237095-A1 RHO KINASE INHIBITORS KADMON CORPORATION, LLC 2016-08-18 US disclosed
EP-3055301-A1 RHO KINASE INHIBITORS Kadmon Corporation, LLC (US) 2016-08-17 EP disclosed
WO-2015054317-A1 RHO KINASE INHIBITORS KADMON CORPORATION, LLC (US) 2015-04-16 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-20160237095-A1 RHO KINASE INHIBITORS ROCK2, ROCK1, RHOA TRAP1 1554/4885HSP90B1 2353/4885HSP90AA1 1019/4885
US-11833162-B2 Macrocyclic derivatives, process for preparing same and pharmaceutical compositions containing same C1R, F12, RDX TRAP1 4862/4885HSP90B1 4124/4885HSP90AA1 3622/4885
US-10125144-B2 Rho kinase inhibitors ROCK2, ROCK1, RHOA TRAP1 1554/4885HSP90B1 2353/4885HSP90AA1 1019/4885
US-20200253993-A1 NOVEL MACROCYCLIC DERIVATIVES, PROCESS FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME C1R, RDX, F12 TRAP1 4866/4885HSP90B1 4465/4885HSP90AA1 4135/4885

“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.