SCHEMBL6701809

SCHEMBL6701809

COc1cccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)c2cc(NS(=O)(=O)c4cccc(OC)c4)ccc2-3)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.70
KDR P35968 1/20 0.70
AURKB Q96GD4 1/20 0.70
PGR P06401 6/20 0.65
GAA P10253 1/20 0.59
ALDH1A1 P00352 2/20 0.58
LMNA P02545 2/20 0.58
RORA P35398 1/20 0.57
RORC P51449 1/20 0.57
NR1H2 P55055 1/20 0.57
ALOX15 P16050 1/20 0.57
MAPK1 P28482 1/20 0.57
HTT P42858 1/20 0.57
FFAR4 Q5NUL3 1/20 0.57
KEAP1 Q14145 1/20 0.57
NFE2L2 Q16236 1/20 0.57
BRD4 O60885 1/20 0.57
CYP11B1 P15538 1/20 0.56
CYP11B2 P19099 1/20 0.56
CASP3 P42574 1/20 0.55

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
SCHEMBL3758000 0.81 PGR (0.83) PGRGAAALDH1A1LMNARORA
SCHEMBL2959233 0.80 PGR (0.72) AURKAKDRAURKBPGRGAA
SCHEMBL7181531 0.80 PGR (0.72) AURKAKDRAURKBPGRGAA
SCHEMBL1629146 0.80 PGR (0.74) PGRGAAALDH1A1LMNARORA
SCHEMBL20323615 0.79 HTR6 (0.66) PGRGAAALDH1A1LMNARORA
SCHEMBL7183197 0.79 GAA (0.64) AURKAKDRAURKBPGRGAA
SCHEMBL6703833 0.78 STAT3 (0.61) AURKAKDRAURKBGAAMAPK1
SCHEMBL4662755 0.78 PGR (0.72) PGRGAAALDH1A1LMNAMAPK1
SCHEMBL13629345 0.77 PGR (0.61) AURKAKDRAURKBPGRGAA
SCHEMBL5329582 0.77 PGR (0.71) PGRGAAALDH1A1LMNARORA

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-6693136-B1 DISULFONAMIDE DERIVATIVES; PAIN, URINARY INCONTINENCE, BLADDER OVERACTIVITY ABBOTT LABORATORIES 2004-02-17 US claimed
US-20040019042-A1 FLUORENES AND ANTHRACENES THAT INHIBIT P2X3 AND P2X2/3 CONTAINING RECEPTORS ABBVIE INC. 2004-01-29 US claimed
US-6693136-B1 DISULFONAMIDE DERIVATIVES; PAIN, URINARY INCONTINENCE, BLADDER OVERACTIVITY ABBOTT LABORATORIES 2004-02-17 US disclosed
US-20040019042-A1 FLUORENES AND ANTHRACENES THAT INHIBIT P2X3 AND P2X2/3 CONTAINING RECEPTORS ABBVIE INC. 2004-01-29 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 (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-20040019042-A1 FLUORENES AND ANTHRACENES THAT INHIBIT P2X3 AND P2X2/3 CONTAINING RECEPTORS P2RX3, P2RX1, P2RX2 AURKA 3244/4885KDR 3370/4885AURKB 3322/4885

“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.