SCHEMBL6257174

SCHEMBL6257174

O=C1OC(=O)c2cc(S(=O)(=O)O)c(C(=O)O)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ TYMS P04818 1/20 0.40
▸ CA12 O43570 6/20 0.39
▸ CA7 P43166 6/20 0.39
▸ CA1 P00915 6/20 0.39
▸ CA4 P22748 3/20 0.39
▸ ALOX15 P16050 2/20 0.38
▸ KIF11 P52732 1/20 0.38
▸ ADCY10 Q96PN6 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ CYP2D6 P10635 1/20 0.37
▸ CA2 P00918 4/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ CA3 P07451 1/20 0.36
▸ CA6 P23280 1/20 0.36

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
SCHEMBL13786936 0.82 PGAM1 (0.43) HSD17B10ALDH1A1TDP1TYMSALOX15
SCHEMBL540750 0.80 TYMS (0.50) HSD17B10ALDH1A1TDP1TYMSCA12
SCHEMBL718945 0.78 ALDH1A1 (0.53) HSD17B10ALDH1A1CASP1CASP7TDP1
SCHEMBL1044488 0.76 HSD17B10 (0.52) HSD17B10ALDH1A1CASP1CASP7TDP1
SCHEMBL6252709 0.74 ALDH1A1 (0.50) HSD17B10ALDH1A1CASP1CASP7TDP1
SCHEMBL9241552 0.74 BRD4 (0.38) ALDH1A1TDP1ALOX15PGAM1KDM4E
SCHEMBL11221026 0.73 HSD17B10 (0.49) HSD17B10ALDH1A1CASP1CASP7TDP1
SCHEMBL11222985 0.73 HSD17B10 (0.49) HSD17B10ALDH1A1CASP1CASP7TDP1
SCHEMBL4015427 0.73 TYMS (0.44) HSD17B10ALDH1A1CASP1CASP7TDP1
SCHEMBL28866293 0.72 PGAM1 (0.42) HSD17B10ALDH1A1TDP1TYMSALOX15

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
EP-1392643-B1 TRISUBSTITUTED-N- (1S)-1,2,3,4-TETRAHYDRO-1-NAPHTHALENYL] BENZAMIDES WHICH INHIBIT P2X3 AND P2X2/3 CONTAINING RECEPTORS ABBOTT LAB (US) 2005-09-14 — — EP disclosed
US-6831193-B2 Treating pain, urinary incontinence and bladder overactivity; P2X receptors are cation-permeable ion channels ABBOTT LABORATORIES 2004-12-14 — — US disclosed
US-20030083359-A1 Trisubstituted-N-[(1S)-1,2,3,4-terrahydro-1-naphthalenyl]benzamides which inhibit P2X2/3 containing receptors ABBVIE INC. 2003-05-01 — — US disclosed
US-20020173665-A1 Trisubstituted-N-[(1S)-1,2,3,4-tetrahydro-1-naphthalenyl] benzamides which inhibit P2X3 and P2X2/3 containing receptors ABBOTT LABORATORIES 2002-11-21 — — US 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-20020173665-A1 Trisubstituted-N-[(1S)-1,2,3,4-tetrahydro-1-naphthalenyl] benzamides which inhibit P2X3 and P2X2/3 containing receptors P2RX3, P2RX1, P2RX2 HSD17B10 4301/4885ALDH1A1 404/4885CASP1 1358/4885
US-20030083359-A1 Trisubstituted-N-[(1S)-1,2,3,4-terrahydro-1-naphthalenyl]benzamides which inhibit P2X2/3 containing receptors P2RX3, P2RX1, P2RX2 HSD17B10 4143/4885ALDH1A1 392/4885CASP1 1546/4885

“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.

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