SCHEMBL2004946

SCHEMBL2004946

CCNS(=O)(=O)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.33
ALDH1A1 P00352 1/20 0.33
EPHX1 P07099 1/20 0.32
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31

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
SCHEMBL5169582 0.78 CA1 (0.55) CA1EPHX1CA12CA2CA7
SCHEMBL25008100 0.78 EPHX1 (0.39) CA1ALDH1A1EPHX1CA2CA7
SCHEMBL10723265 0.74 EPHX1 (0.56) CA1ALDH1A1EPHX1CA2CA7
SCHEMBL6673451 0.74 ALDH1A1 (0.32) CA1ALDH1A1EPHX1
SCHEMBL6124862 0.74 EPHX1 (0.56) CA1ALDH1A1EPHX1CA2CA7
SCHEMBL13672675 0.74
SCHEMBL13369989 0.74 CYP2C19 (0.48) CA1EPHX1CA12CA2CA7
SCHEMBL10133161 0.74 CA1 (0.58) CA1ALDH1A1EPHX1CA12CA2
SCHEMBL10115090 0.72 EPHX1 (0.64) CA1ALDH1A1EPHX1CA12CA2
SCHEMBL3784128 0.72 CA12 (0.36) ALDH1A1CA12

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 127 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
US-10201623-B2 HSP90-targeted cardiac imaging and therapy MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2019-02-12 US claimed
US-20160264577-A1 HSP90 INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2016-09-15 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
US-20230278958-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-09-07 US disclosed
US-20230278958-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-09-07 US disclosed
CN-116600803-A Macrocyclic urea orexin receptor agonists 默沙东有限责任公司 2023-08-15 CN disclosed
US-20230174538-A1 Tricyclic heterocycles MERCK PATENT GMBH (DE) 2023-06-08 US disclosed
WO-2023078271-A1 AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATE THEREOF, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 上海旭成医药科技有限公司 2023-05-11 WO disclosed
EP-0811005-B1 HERBICIDAL BENZOYL DERIVATIVES BASF AG (DE) 1999-09-29 EP disclosed
US-5846907-A Herbicidally active pyrazol-4-ylbenzoyl compounds BASF AKTIENGESELLSCHAFT (DE) 1998-12-08 US disclosed
US-5846906-A Herbicidally active phenyldiketone compounds BASF AKTIENGESELLSCHAFT (DE) 1998-12-08 US disclosed
EP-0815083-A1 N-AMINOPYRIDONE DERIVATIVES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-01-07 EP disclosed
WO-1996037471-A1 N-AMINOPYRIDONE DERIVATIVES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1996-11-28 WO disclosed
WO-1996026192-A1 ISOXAZOLYL-BENZOYL DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1996-08-29 WO disclosed
WO-1996026200-A1 HERBICIDAL BENZOYL DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1996-08-29 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 (7 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-20230278958-A1 TRICYCLIC HETEROCYCLES YAP1, TERF2IP, TEAD1 CA1 4865/4885ALDH1A1 3813/4885EPHX1 3801/4885
US-20140088121-A1 HSP90 Inhibitors HSP90AB1, HSP90B1, HSP90AB2P CA1 1982/4885ALDH1A1 4100/4885EPHX1 2961/4885
US-20240058482-A1 USES OF LABELED HSP90 INHIBITORS HSP90AB1, HSP90B1, HSP90AA1 CA1 4402/4885ALDH1A1 1352/4885EPHX1 2309/4885
US-20160264577-A1 HSP90 INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P CA1 1994/4885ALDH1A1 4061/4885EPHX1 2915/4885
US-12616759-B2 Uses of labeled HSP90 inhibitors HSP90AB1, HSP90B1, HSP90AB2P CA1 3627/4885ALDH1A1 3972/4885EPHX1 4100/4885
US-10201623-B2 HSP90-targeted cardiac imaging and therapy HSP90AB1, HSP90AA1, HSP90B1 CA1 2122/4885ALDH1A1 888/4885EPHX1 1835/4885
US-20230174538-A1 Tricyclic heterocycles YAP1, TEAD1, TERF2IP CA1 4847/4885ALDH1A1 3857/4885EPHX1 3709/4885

“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.