SCHEMBL5759689

SCHEMBL5759689

CS(=O)(=O)c1nc(-c2ccccc2)c(C(=O)O)[nH]1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.69
HPGD P15428 2/20 0.69
PTGS1 P23219 6/20 0.61
PTGS2 P35354 6/20 0.61
PIN1 Q13526 3/20 0.44
CYP1A2 P05177 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP1 P29466 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 2/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.41

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
SCHEMBL27633486 0.91 ALDH1A1 (0.65) ALDH1A1HPGDPTGS1PTGS2PIN1
SCHEMBL14692202 0.87 PTGS2 (0.63) ALDH1A1HPGDPTGS1PTGS2
SCHEMBL20376677 0.84 ALDH1A1 (0.50) ALDH1A1HPGDPTGS1PTGS2
SCHEMBL6495602 0.82 ALDH1A1 (0.55) ALDH1A1HPGDPTGS1PTGS2CYP1A2
SCHEMBL5762947 0.77 KDM4E (0.62) ALDH1A1HPGDPIN1CYP1A2MAPK1
SCHEMBL6503776 0.75 PIN1 (0.50) ALDH1A1HPGDPIN1CYP1A2MAPK1
SCHEMBL4879884 0.74 KDM4E (0.59) ALDH1A1HPGDPIN1CYP1A2MAPK1
SCHEMBL5762937 0.73 PIN1 (0.49) ALDH1A1HPGDPIN1CYP1A2MAPK1
SCHEMBL4802255 0.73 SMN1; SMN2 (0.49) ALDH1A1HPGDPIN1CYP1A2MAPK1
SCHEMBL5820825 0.73 KDM4E (0.66) ALDH1A1HPGDPTGS1PTGS2PIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1641765-A1 ARYL-HETEROAROMATIC PRODUCTS, COMPOSITIONS CONTAINING SAME AND USE THEREOF Aventis Pharma S.A. (FR) 2006-04-05 EP disclosed
US-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AVENTIS PHARMA S.A. (FR) 2005-01-20 US disclosed
WO-2004108685-A1 ARYL-HETEROAROMATIC PRODUCTS, COMPOSITIONS CONTAINING SAME AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2004-12-16 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-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AHR, ARNT, MYC ALDH1A1 240/4885HPGD 664/4885PTGS1 2334/4885

“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.