SCHEMBL10147477

SCHEMBL10147477

CCCCNS(=O)(=O)CC(C)C

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.54
CA2 P00918 4/20 0.54
CA12 O43570 2/20 0.54
CA14 Q9ULX7 2/20 0.54
CA7 P43166 1/20 0.54
GRIA1 P42261 3/20 0.50
REN P00797 2/20 0.42
PPARA Q07869 2/20 0.42
RELA Q04206 4/20 0.39
EPHX1 P07099 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 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
SCHEMBL18949031 0.94 GRIA1 (0.54) CA1CA2CA12CA14CA7
SCHEMBL10141254 0.92 GRIA1 (0.57) CA1CA2CA12CA14CA7
SCHEMBL19996862 0.87 GRIA1 (0.42) CA1CA2CA12CA14CA7
SCHEMBL12988696 0.86 CA1 (0.50) CA1CA2CA12CA14CA7
SCHEMBL28894831 0.83 CA1 (0.50) CA1CA2CA12CA14CA7
SCHEMBL10147425 0.83 GRIA1 (0.50) CA1CA2CA12CA14CA7
SCHEMBL6754569 0.82 GRIA1 (0.74) CA1CA2CA12CA14CA7
SCHEMBL15611023 0.81 GRIA1 (0.48) CA1CA2CA12CA14CA7
SCHEMBL26724826 0.79 CA1 (0.50) CA1CA2CA12CA14CA7
SCHEMBL12232575 0.79 GRIA1 (0.57) CA1CA2GRIA1RENPPARA

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 6 patents. 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 disclosed
US-9676802-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 US disclosed
US-20160264577-A1 HSP90 INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2016-09-15 US disclosed
US-9346808-B2 Hsp90 inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2016-05-24 US disclosed
US-20120076755-A1 Hepatitis C Virus Inhibitors ENANTA PHARMACEUTICALS, INC. 2012-03-29 US disclosed
US-20110189129-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-08-04 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 (3 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-20160264577-A1 HSP90 INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P CA1 1994/4885CA2 1812/4885CA12 2719/4885
US-20110189129-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, NSUN2 CA1 4360/4885CA2 3838/4885CA12 3578/4885
US-20120076755-A1 Hepatitis C Virus Inhibitors NSUN2, HCCS, HAVCR2 CA1 4390/4885CA2 3855/4885CA12 3519/4885

“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.