SCHEMBL668941

SCHEMBL668941

CCCNS(=O)(=O)C1CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.50
PPARA Q07869 3/20 0.40
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
CA2 P00918 3/20 0.36
CA12 O43570 2/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
KDM1A O60341 1/20 0.35
CA9 Q16790 1/20 0.34
BRD4 O60885 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
SCHEMBL1704325 0.91 CA1 (0.46) CA1PPARAPSEN1PSEN2APH1B
SCHEMBL1703764 0.89 CA1 (0.44) CA1PPARAPSEN1PSEN2APH1B
SCHEMBL16442244 0.87 CA1 (0.38) CA1PPARAPSEN1PSEN2APH1B
SCHEMBL6050956 0.86 CA1 (0.54) CA1PPARAPSEN1PSEN2APH1B
SCHEMBL12102205 0.86 GABRA1 (0.47) CA1PPARAPSEN1PSEN2APH1B
SCHEMBL21477767 0.85 PPARA (0.50) CA1PPARACA2CA12CA7
SCHEMBL29764410 0.84 CA1 (0.40) CA1PPARAPSEN1PSEN2APH1B
SCHEMBL4439995 0.81 PPARA (0.51) CA1PPARACA2CA12CA7
SCHEMBL21217014 0.80 CA1 (0.44) CA1PPARAPSEN1PSEN2APH1B
SCHEMBL18236676 0.80 SAT1 (0.35) CA1KDM1A

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 83 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2694505-B1 HSP90 INHIBITORS SLOAN KETTERING INST CANCER RES (US) 2022-04-27 EP claimed
CN-103582642-B HSP90 inhibitor 索隆-基特林癌症研究协会 2021-05-11 CN claimed
US-10201623-B2 HSP90-targeted cardiac imaging and therapy MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2019-02-12 US claimed
US-9926321-B2 Hsp90 inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2018-03-27 US claimed
US-20160264577-A1 HSP90 INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2016-09-15 US claimed
US-9346808-B2 Hsp90 inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2016-05-24 US claimed
US-20140088121-A1 HSP90 Inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2014-03-27 US claimed
EP-2694505-A1 HSP90 INHIBITORS Sloan-kettering Institute For Cancer Research (US) 2014-02-12 EP claimed
WO-2012138894-A1 HSP90 INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2012-10-11 WO claimed
US-12616759-B2 Uses of labeled HSP90 inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2026-05-05 US disclosed
US-20240058482-A1 USES OF LABELED HSP90 INHIBITORS SLOAN KETTERING INST CANCER RES (US) 2024-02-22 US disclosed
WO-2023096928-A1 HETERO-ATOM CONTAINING COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-06-01 WO disclosed
US-11607465-B2 Uses of labeled HSP90 inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2023-03-21 US disclosed
WO-2022192598-A1 HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2022-09-15 WO disclosed
EP-1629000-A4 MACROCYCLIC ISOQUINOLINE PEPTIDE INHIBITORS OF HEPATITIS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2006-11-29 EP disclosed
WO-2006122188-A2 TRIPEPTIDES AS HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-16 WO disclosed
WO-2006086381-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-08-17 WO disclosed
EP-1629000-A2 MACROCYCLIC ISOQUINOLINE PEPTIDE INHIBITORS OF HEPATITIS C VIRUS Bristol-Myers Squibb Company (US) 2006-03-01 EP disclosed
WO-2004094452-A2 MACROCYCLIC ISOQUINOLINE PEPTIDE INHIBITORS OF HEPATITIS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-04 WO disclosed
WO-1996024591-A1 CYCLOALKYLSULPHONYL-AMINOSULPHONYL UREAS BAYER AKTIENGESELLSCHAFT (DE) 1996-08-15 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 (6 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-20140088121-A1 HSP90 Inhibitors HSP90AB1, HSP90B1, HSP90AB2P CA1 1982/4885PPARA 4221/4885PSEN1 3883/4885
US-20240058482-A1 USES OF LABELED HSP90 INHIBITORS HSP90AB1, HSP90B1, HSP90AA1 CA1 4402/4885PPARA 3440/4885PSEN1 4490/4885
US-20160264577-A1 HSP90 INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P CA1 1994/4885PPARA 4204/4885PSEN1 3898/4885
US-12616759-B2 Uses of labeled HSP90 inhibitors HSP90AB1, HSP90B1, HSP90AB2P CA1 3627/4885PPARA 3942/4885PSEN1 3529/4885
US-10201623-B2 HSP90-targeted cardiac imaging and therapy HSP90AB1, HSP90AA1, HSP90B1 CA1 2122/4885PPARA 1920/4885PSEN1 4019/4885
US-11607465-B2 Uses of labeled HSP90 inhibitors HSP90AB1, HSP90B1, HSP90AA1 CA1 4402/4885PPARA 3440/4885PSEN1 4490/4885

“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.