SCHEMBL7077503

SCHEMBL7077503

O=C(O)CCSc1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
PPARA Q07869 1/20 0.53
CYP2C19 P33261 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 1/20 0.49
SRD5A2 P31213 1/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RECQL P46063 1/20 0.47
FFAR1 O14842 1/20 0.46
NR4A2 P43354 1/20 0.46
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 1/20 0.45
NPY5R Q15761 1/20 0.44
PRNP P04156 1/20 0.44
MAPK10 P53779 1/20 0.44

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
SCHEMBL11306067 0.89 ALDH1A1 (0.58) ALDH1A1CYP2C19CYP1A2CYP3A4SRD5A2
SCHEMBL1930794 0.85 ALDH1A1 (0.77) ALDH1A1CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL51274 0.84 GAA (0.54) ALDH1A1CYP2C19CYP1A2CYP3A4SRD5A2
SCHEMBL12365457 0.83 ALDH1A1 (0.53) ALDH1A1CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL11299425 0.82 ALDH1A1 (0.50) ALDH1A1CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL15006838 0.82 HDAC1 (0.62) ALDH1A1CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL15007027 0.81 FFAR1 (0.70) ALDH1A1CYP1A2SRD5A2RAB9AFFAR1
SCHEMBL7722382 0.81 ALDH1A1 (0.58) ALDH1A1SRD5A2NPC1RAB9ASMN1; SMN2
SCHEMBL6471359 0.80 HPGD (0.53) ALDH1A1CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL26085771 0.80 HDAC1 (0.64) ALDH1A1CYP2C19CYP1A2CYP3A4CYP2D6

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
US-20030207889-A1 Hydroxamic and carboxylic acid derivatives having MMP and TNF inhibitory activity OWEN DAVID ALAN (GB) 2003-11-06 US disclosed
US-6566384-B1 For therapy of cancer, inflammation and inflammatory diseases, tissue degeneration, periodontal disease, ophthalmological disease, dermatological disorders, fever, cardiovascular effects, haemorrhage, coagulation and acute phase response DARWIN DISCOVERY LTD. (GB) 2003-05-20 US disclosed
US-6118001-A ANTICANCER AGENT; ANTIARTHRITIC AGENT DARWIN DISCOVERY, LTD. (GB) 2000-09-12 US disclosed
EP-0968182-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY Darwin Discovery Limited (GB) 2000-01-05 EP disclosed
CN-1227540-A Hydroxamic and carboxylic acid derivatives having MMP and TNF inhibitory activity DARWIN DISCOVERY CO LTD (GB) 1999-09-01 CN disclosed
WO-1998005635-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LIMITED (GB) 1998-02-12 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 (1 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-20030207889-A1 Hydroxamic and carboxylic acid derivatives having MMP and TNF inhibitory activity MMP13, MMP2, MMP9 ALDH1A1 408/4885PPARA 761/4885CYP2C19 2083/4885

“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.