SCHEMBL7927008

SCHEMBL7927008

COC(=O)c1ccc(CNC(=O)CS)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
HPGD P15428 2/20 0.56
MAPT P10636 1/20 0.54
LOXL2 Q9Y4K0 1/20 0.54
LMNA P02545 3/20 0.54
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA12 O43570 1/20 0.53
CA7 P43166 1/20 0.53
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CYP4A11 Q02928 1/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL19910593 0.85 ALDH1A1 (0.60) ALDH1A1HPGDMAPTLOXL2LMNA
SCHEMBL18617727 0.82 CA1 (0.59) ALDH1A1HPGDMAPTLOXL2LMNA
SCHEMBL8288439 0.81 NPC1 (0.65) ALDH1A1HPGDCA1CA2CA12
SCHEMBL5357067 0.81 KMT2A (0.68) ALDH1A1HPGDMAPTLOXL2LMNA
SCHEMBL16273562 0.81 HTT (0.59) ALDH1A1HPGDMAPTLOXL2LMNA
SCHEMBL18617726 0.81 ALDH1A1 (0.60) ALDH1A1HPGDMAPTLOXL2LMNA
SCHEMBL2263721 0.80 MCL1 (0.62) ALDH1A1HPGDMAPTLOXL2LMNA
SCHEMBL23316960 0.79 LOXL2 (0.58) ALDH1A1HPGDMAPTLOXL2LMNA
SCHEMBL22253411 0.79 LOXL2 (0.62) ALDH1A1HPGDMAPTLOXL2LMNA
SCHEMBL13920455 0.79 LOXL2 (0.58) ALDH1A1HPGDMAPTLOXL2LMNA

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 ALDH1A1 496/4885HPGD 194/4885MAPT 1781/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 ALDH1A1 2213/4885HPGD 599/4885MAPT 2849/4885

“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.