SCHEMBL7937664

SCHEMBL7937664

CCCCOC(=O)c1ccc(NC(=O)CS)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.72
RECQL P46063 1/20 0.72
RAB9A P51151 4/20 0.62
NPC1 O15118 1/20 0.62
CASP1 P29466 1/20 0.62
SMN1; SMN2 Q16637 3/20 0.59
LMNA P02545 3/20 0.59
CYP1A2 P05177 2/20 0.59
TSHR P16473 2/20 0.59
CYP2C19 P33261 2/20 0.59
MAPK1 P28482 2/20 0.59
ESR1 P03372 1/20 0.59
CYP2D6 P10635 1/20 0.59
NR1H2 P55055 1/20 0.59
RNASEL Q05823 1/20 0.59
MAPT P10636 4/20 0.58
KMT2A Q03164 4/20 0.58
MEN1 O00255 3/20 0.58
HTT P42858 2/20 0.58
GAA P10253 1/20 0.58

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
SCHEMBL5947201 0.86 HPGD (0.76) HPGDRECQLRAB9ANPC1CASP1
SCHEMBL5807379 0.85 TSHR (0.72) RAB9ANPC1SMN1; SMN2TSHRMAPK1
SCHEMBL10943133 0.84 RAB9A (0.86) HPGDRECQLRAB9ANPC1CASP1
SCHEMBL10943491 0.84 HPGD (0.78) HPGDRECQLRAB9ANPC1CASP1
SCHEMBL1411274 0.83 HPGD (0.68) HPGDRECQLRAB9ANPC1CASP1
SCHEMBL10940888 0.82 HPGD (0.74) HPGDRECQLRAB9ANPC1CASP1
SCHEMBL4918746 0.81 HPGD (0.74) HPGDRECQLRAB9ANPC1CASP1
SCHEMBL10978405 0.81 HPGD (0.74) HPGDRECQLRAB9ANPC1CASP1
SCHEMBL37476 0.81 ESR1 (0.85) HPGDRECQLRAB9ANPC1SMN1; SMN2
SCHEMBL11759559 0.80 HPGD (0.72) HPGDRECQLRAB9ANPC1CASP1

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 HPGD 194/4885RECQL 2877/4885RAB9A 3098/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 HPGD 599/4885RECQL 1548/4885RAB9A 1619/4885

“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.