SCHEMBL777392

SCHEMBL777392

CCS(=O)(=O)NCC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.39
CA7 P43166 3/20 0.39
CA9 Q16790 3/20 0.39
CA14 Q9ULX7 3/20 0.39
ALDH1A1 P00352 2/20 0.39
GRIA4 P48058 1/20 0.38
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
ATM Q13315 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
GRIA1 P42261 3/20 0.32
CA1 P00915 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CA2 P00918 1/20 0.30
TSHR P16473 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
SCHEMBL12988956 0.82 GRIA4 (0.42) CA12CA7CA9CA14ALDH1A1
SCHEMBL8909346 0.81 GRIA1 (0.41) CA12CA7CA9CA14ALDH1A1
SCHEMBL10510598 0.79 TSHR (0.36) GRIA4GRIA1TSHR
SCHEMBL9114458 0.79 GRIA4 (0.36) GRIA4GRIA1
SCHEMBL12194930 0.79 RELA (0.39) CA12CA7CA9CA14ALDH1A1
SCHEMBL14011294 0.77 CA12 (0.36) CA12CA7CA9CA14ALDH1A1
SCHEMBL19996799 0.77 CA12 (0.36) CA12CA7CA9CA14ALDH1A1
SCHEMBL9660903 0.77 RELA (0.45) CA12CA7CA14CA1CA2
SCHEMBL17149388 0.76 GRIA4 (0.37) GRIA4CA1MEN1KMT2ACA2
SCHEMBL23905111 0.75 RELA (0.47) CA2

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 66 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
US-12616759-B2 Uses of labeled HSP90 inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2026-05-05 US disclosed
US-11976075-B2 Inhibitors of the MYST family of lysine acetyl transferases Isosterix, Inc. 2024-05-07 US disclosed
US-11976075-B2 Inhibitors of the MYST family of lysine acetyl transferases Isosterix, Inc. 2024-05-07 US disclosed
US-20240058482-A1 USES OF LABELED HSP90 INHIBITORS SLOAN KETTERING INST CANCER RES (US) 2024-02-22 US disclosed
US-20230303580-A1 INHIBITORS OF THE MYST FAMILY OF LYSINE ACETYL TRANSFERASES Isosterix, Inc. 2023-09-28 US disclosed
US-20230303580-A1 INHIBITORS OF THE MYST FAMILY OF LYSINE ACETYL TRANSFERASES Isosterix, Inc. 2023-09-28 US disclosed
WO-2023147597-A2 ALLOSTERIC STING MODULATORS AND METHODS OF USE THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-08-03 WO disclosed
US-11607465-B2 Uses of labeled HSP90 inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2023-03-21 US disclosed
US-20120071514-A1 BENZOXAZOLONE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 US disclosed
US-20120071514-A1 BENZOXAZOLONE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 US disclosed
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 US disclosed
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 US disclosed
US-20090131436-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2009-05-21 US disclosed
US-7449447-B2 Peptidomimetic NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2008-11-11 US disclosed
US-20070203183-A1 Diaryl piperidines as CB1 modulators SCHERING CORPORATION 2007-08-30 US disclosed
US-20070203183-A1 Diaryl piperidines as CB1 modulators SCHERING CORPORATION 2007-08-30 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 (12 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-20070203183-A1 Diaryl piperidines as CB1 modulators CNR1, CNR2, GPR119 CA12 4446/4885CA7 3932/4885CA9 3551/4885
US-20140088121-A1 HSP90 Inhibitors HSP90AB1, HSP90B1, HSP90AB2P CA12 2723/4885CA7 2409/4885CA9 1478/4885
US-20240058482-A1 USES OF LABELED HSP90 INHIBITORS HSP90AB1, HSP90B1, HSP90AA1 CA12 4245/4885CA7 4448/4885CA9 4186/4885
US-20160264577-A1 HSP90 INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P CA12 2719/4885CA7 2391/4885CA9 1461/4885
US-20230303580-A1 INHIBITORS OF THE MYST FAMILY OF LYSINE ACETYL TRANSFERASES KAT6A, KAT6B, KAT2A CA12 4272/4885CA7 3349/4885CA9 3963/4885
US-12616759-B2 Uses of labeled HSP90 inhibitors HSP90AB1, HSP90B1, HSP90AB2P CA12 4053/4885CA7 4182/4885CA9 3580/4885
US-10201623-B2 HSP90-targeted cardiac imaging and therapy HSP90AB1, HSP90AA1, HSP90B1 CA12 2081/4885CA7 2981/4885CA9 2217/4885
US-11976075-B2 Inhibitors of the MYST family of lysine acetyl transferases KAT6A, KAT6B, KAT2A CA12 4272/4885CA7 3349/4885CA9 3963/4885
US-20120071514-A1 BENZOXAZOLONE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS CYP11B2, CYP11B1, CYP21A2 CA12 2651/4885CA7 759/4885CA9 924/4885
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO MC2R, REN, CYP11B2 CA12 2572/4885CA7 1513/4885CA9 1655/4885
US-11607465-B2 Uses of labeled HSP90 inhibitors HSP90AB1, HSP90B1, HSP90AA1 CA12 4245/4885CA7 4448/4885CA9 4186/4885
US-20090131436-A1 Pyrimidine Derivatives DPYD, TYMP, TYMS CA12 4835/4885CA7 4573/4885CA9 4296/4885

“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.