SCHEMBL7934896

SCHEMBL7934896

O=C(CS)NCc1ccc(Cl)cc1F

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 3/20 0.57
ERCC4 Q92889 3/20 0.57
P2RX7 Q99572 6/20 0.46
ALDH1A1 P00352 1/20 0.46
CNR1 P21554 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
AKR1B1 P15121 3/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MMP2 P08253 1/20 0.43

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
SCHEMBL23565573 0.86 ERCC1 (0.58) ERCC1ERCC4P2RX7ALDH1A1CNR1
SCHEMBL23981793 0.84 P2RX7 (0.53) ERCC1ERCC4P2RX7NPC1RAB9A
SCHEMBL1143378 0.84 ALDH1A1 (0.62) ERCC1ERCC4P2RX7ALDH1A1NPC1
SCHEMBL3883601 0.82 ERCC1 (0.54) ERCC1ERCC4P2RX7ALDH1A1HTR2C
SCHEMBL7976988 0.81 ERCC1 (0.52) ERCC1ERCC4P2RX7ALDH1A1CNR1
SCHEMBL7976991 0.81 CYP2C9 (0.54) ERCC1ERCC4P2RX7HTR2CHTR2B
SCHEMBL7934893 0.81 P2RX7 (0.53) ERCC1ERCC4P2RX7ALDH1A1CNR1
SCHEMBL22803045 0.81 ERCC1 (0.53) ERCC1ERCC4P2RX7ALDH1A1CNR1
SCHEMBL7925042 0.78 HSD11B1 (0.57) P2RX7
SCHEMBL13647246 0.78 ERCC1 (0.50) ERCC1ERCC4P2RX7ALDH1A1HTR2C

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT ABSOLUTE SCIENCE, INC. (US) 2011-08-04 US disclosed
US-20110034521-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-02-10 US disclosed
WO-2010033360-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT 1/3 ABSOLUTE SCIENCE, INC. (US) 2010-03-25 WO disclosed
WO-2009045761-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES ABSOLUTE SCIENCE, INC. (US) 2009-04-09 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 (2 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-20110034521-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES MMP7, MMP3, MMP9 ERCC1 2534/4885ERCC4 706/4885P2RX7 3628/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 ERCC1 4122/4885ERCC4 3016/4885P2RX7 969/4885

“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.