SCHEMBL6734063

SCHEMBL6734063

BrCc1ccc2ccsc2c1.BrOBr.[P]

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.41
MRGPRX4 Q96LA9 1/20 0.36
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
PTGER4 P35408 1/20 0.31
PTGER3 P43115 1/20 0.31
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30

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
SCHEMBL7465357 0.93 CYP2A6 (0.46) CYP2A6MRGPRX4OPRM1OPRK1PTGER4
SCHEMBL1863293 0.77 CYP2A6 (0.66) CYP2A6MRGPRX4OPRM1OPRK1
SCHEMBL29469368 0.77 CYP2A6 (0.66) CYP2A6MRGPRX4OPRM1OPRK1
SCHEMBL10230281 0.73 CYP2A6 (0.46) CYP2A6MRGPRX4OPRM1OPRK1PTGER4
SCHEMBL507426 0.73 CYP2A6 (0.71) CYP2A6MRGPRX4OPRM1OPRK1
SCHEMBL8058490 0.73 CYP2A6 (0.46) CYP2A6MRGPRX4OPRM1OPRK1PTGER4
SCHEMBL3150204 0.73 CYP2A6 (0.46) CYP2A6MRGPRX4OPRM1OPRK1PTGER4
SCHEMBL154793 0.73 CYP2A6 (0.47) CYP2A6MRGPRX4OPRM1OPRK1
SCHEMBL3145920 0.73 MRGPRX4 (0.43) CYP2A6MRGPRX4OPRM1OPRK1PSEN1
SCHEMBL6399446 0.72 CYP2A6 (0.54) CYP2A6OPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040225006-A1 (Hetero) bicyclymethanesulfonylamino-substituted hydroxamic acid derivates SMITHKLINE BEECHAM P.L.C. 2004-11-11 US disclosed
US-20030199571-A1 (Hetero) Bicyclymethanesulfonylamino-substituted hydroxamic acid derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2003-10-23 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-20030199571-A1 (Hetero) Bicyclymethanesulfonylamino-substituted hydroxamic acid derivatives CD40, CD22, CD2 CYP2A6 392/4885MRGPRX4 2978/4885OPRM1 1101/4885
US-20040225006-A1 (Hetero) bicyclymethanesulfonylamino-substituted hydroxamic acid derivates CD40, TNFRSF1A, CD2 CYP2A6 552/4885MRGPRX4 3157/4885OPRM1 796/4885

“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.