SCHEMBL8095041

SCHEMBL8095041

CCS(=O)(=O)NC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
NR3C2 P08235 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
MAPT P10636 2/20 0.31
LMNA P02545 2/20 0.31
HPGD P15428 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
HTT P42858 1/20 0.30

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
SCHEMBL8679034 0.80 ALDH1A1 (0.31) ALDH1A1
SCHEMBL14489954 0.79 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL17036729 0.77 ALDH1A1 (0.32) ALDH1A1MAPTLMNA
SCHEMBL2422228 0.77 ALDH1A1 (0.32) ALDH1A1
SCHEMBL16490062 0.77 ALDH1A1 (0.32) ALDH1A1
SCHEMBL2630537 0.76 HPGD (0.40) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL2197372 0.75 FAAH (0.43) HPGDKDM4E
SCHEMBL25767732 0.75 ALDH1A1 (0.32) ALDH1A1
SCHEMBL16490061 0.75 ALDH1A1 (0.34) ALDH1A1
SCHEMBL12959327 0.73 KIF11 (0.35)

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 110 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-20240208985-A2 ANDROGEN RECEPTOR REGULATION BY SMALL MOLECULE ENANTIOMERS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2024-06-27 US disclosed
US-20240058482-A1 USES OF LABELED HSP90 INHIBITORS SLOAN KETTERING INST CANCER RES (US) 2024-02-22 US disclosed
WO-2024035950-A1 INHIBITORS OF KIF18A AND USES THEREOF ACCENT THERAPEUTICS, INC. (US) 2024-02-15 WO disclosed
US-20230382889-A1 COMPOUNDS FOR INHIBITING KIF18A VOLASTRA THERAPEUTICS, INC. (US) 2023-11-30 US disclosed
US-20230133119-A1 ANDROGEN RECEPTOR REGULATION BY SMALL MOLECULE ENANTIOMERS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2023-05-04 US disclosed
US-20230095934-A1 TREATMENT OF HEMATOLOGICAL MALIGNANCIES WITH INHIBITORS OF MENIN KURA ONCOLOGY, INC. 2023-03-30 US disclosed
US-5834404-A Substituted bicycloheptanedione derivative and herbicide NIPPON SODA CO., LTD. (JP) 1998-11-10 US disclosed
EP-0791572-A1 SUBSTITUTED BICYCLOHEPTANEDIONE DERIVATIVE AND HERBICIDE NIPPON SODA CO., LTD. (JP) 1997-08-27 EP disclosed
EP-0467621-B1 N-phenyl-N'-alkylsulfonylureas, process for their preparation and antitumor compositions containing them LILLY CO ELI (US) 1994-06-15 EP disclosed
US-5254589-A Anticholesterol agent WARNER-LAMBERT COMPANY (US) 1993-10-19 US disclosed
US-5216026-A Administering to the mammal N-1-butanesulfonamide derivatives and salts ELI LILLY AND COMPANY (US) 1993-06-01 US disclosed
WO-1993008161-A1 SULFONYL UREA AND CARBAMATE ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 1993-04-29 WO disclosed
EP-0467621-A1 N-phenyl-N'-alkylsulfonylureas, process for their preparation and antitumor compositions containing them ELI LILLY AND COMPANY (US) 1992-01-22 EP 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 (9 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-20230382889-A1 COMPOUNDS FOR INHIBITING KIF18A KIF18A, KIF18B, KIF2C ALDH1A1 2900/4885NR3C2 4398/4885SMN1; SMN2 651/4885
US-20240208985-A2 ANDROGEN RECEPTOR REGULATION BY SMALL MOLECULE ENANTIOMERS AR, SHBG, NR5A1 ALDH1A1 2177/4885NR3C2 30/4885SMN1; SMN2 4522/4885
US-20140088121-A1 HSP90 Inhibitors HSP90AB1, HSP90B1, HSP90AB2P ALDH1A1 4100/4885NR3C2 1263/4885SMN1; SMN2 4272/4885
US-20240058482-A1 USES OF LABELED HSP90 INHIBITORS HSP90AB1, HSP90B1, HSP90AA1 ALDH1A1 1352/4885NR3C2 2182/4885SMN1; SMN2 4644/4885
US-20160264577-A1 HSP90 INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P ALDH1A1 4061/4885NR3C2 1262/4885SMN1; SMN2 4275/4885
US-12616759-B2 Uses of labeled HSP90 inhibitors HSP90AB1, HSP90B1, HSP90AB2P ALDH1A1 3972/4885NR3C2 1223/4885SMN1; SMN2 3743/4885
US-20230133119-A1 ANDROGEN RECEPTOR REGULATION BY SMALL MOLECULE ENANTIOMERS AR, SHBG, NR5A1 ALDH1A1 2190/4885NR3C2 33/4885SMN1; SMN2 4543/4885
US-10201623-B2 HSP90-targeted cardiac imaging and therapy HSP90AB1, HSP90AA1, HSP90B1 ALDH1A1 888/4885NR3C2 549/4885SMN1; SMN2 3123/4885
US-20230095934-A1 TREATMENT OF HEMATOLOGICAL MALIGNANCIES WITH INHIBITORS OF MENIN MEN1, MCL1, XPOT ALDH1A1 4310/4885NR3C2 3510/4885SMN1; SMN2 1755/4885

“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.