SCHEMBL6691735

SCHEMBL6691735

CC(C)(C)c1ccc(CNc2cccc(NCc3ccc(S(C)(=O)=O)cc3)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.60
CA2 P00918 8/20 0.60
EPHX2 P34913 2/20 0.58
NR1H4 Q96RI1 2/20 0.58
IKBKB O14920 1/20 0.49
GHSR Q92847 1/20 0.46
PTGS2 P35354 2/20 0.46
UQCRB P14927 1/20 0.46
CA12 O43570 2/20 0.45
CA7 P43166 1/20 0.45
CA4 P22748 1/20 0.44
CA9 Q16790 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL6690731 0.87 CA1 (0.54) CA1CA2TRPV1
SCHEMBL6692382 0.81 PTGS2 (0.51) GHSRPTGS2
SCHEMBL6693546 0.80 FFAR1 (0.49) GHSRPTGS2MAPT
SCHEMBL6696110 0.80 RXFP1 (0.46) GHSRPTGS2
SCHEMBL7207001 0.78 CA1 (0.47) CA1CA2IKBKBTRPV1GAA
SCHEMBL6693419 0.77 PTGS2 (0.47) PTGS2
SCHEMBL1241386 0.77 CA1 (0.48) CA1CA2TRPV1SMN1; SMN2
SCHEMBL6692374 0.76 CA1 (0.45) CA1CA2TRPV1
SCHEMBL7995375 0.75 CA1 (0.59) CA1CA2EPHX2NR1H4
SCHEMBL1107981 0.74 ALDH1A1 (0.64) CA1CA2EPHX2NR1H4PTGS2

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-20040009973-A1 Phenylenediamine derivatives N-substituted with benzyl- or heteroarylmethyl- groups 4SC AG (DE) 2004-01-15 US disclosed
WO-2003076388-A2 BIS-ANILINE DERIVATIVES USEFUL AS POTASSIUM CHANNELS MODULATORS 4SC AG (DE) 2003-09-18 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-20040009973-A1 Phenylenediamine derivatives N-substituted with benzyl- or heteroarylmethyl- groups PAH, PNMT, OPRM1 CA1 2457/4885CA2 1332/4885EPHX2 142/4885

“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.