SCHEMBL3461792

SCHEMBL3461792

CC(C)(C)OC(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ TP53 P04637 1/20 0.59
▸ EPHX1 P07099 1/20 0.59
▸ TSHR P16473 1/20 0.59
▸ EPHX2 P34913 1/20 0.59
▸ CDK9 P50750 1/20 0.59
▸ CLK4 Q9HAZ1 1/20 0.59
▸ NPC1 O15118 4/20 0.58
▸ RAB9A P51151 4/20 0.58
▸ TAAR1 Q96RJ0 3/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ CASP3 P42574 1/20 0.56
▸ SENP7 Q9BQF6 1/20 0.56
▸ MAOA P21397 2/20 0.55
▸ MAOB P27338 2/20 0.55
▸ NAMPT P43490 1/20 0.55
▸ MAPT P10636 2/20 0.54
▸ SIRT1 Q96EB6 1/20 0.51
▸ CYP17A1 P05093 1/20 0.50
▸ MEN1 O00255 1/20 0.50

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
SCHEMBL775002 0.93 NAMPT (0.56) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL3460916 0.92 KMT2A (0.55) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL9479696 0.90 MAPT (0.58) SMN1; SMN2RAB9AKMT2ACASP3SENP7
SCHEMBL13055402 0.87 CYP17A1 (0.59) SMN1; SMN2NAMPTCYP17A1MAPK14
SCHEMBL31300042 0.87 GAA (0.60) SMN1; SMN2EPHX1RAB9AKMT2AMAOA
SCHEMBL4016652 0.86 MAPT (0.54) SMN1; SMN2NPC1RAB9AKMT2AMAPT
Alcohol SCHEMBL4315662 0.86 NAMPT (0.51) SMN1; SMN2NPC1RAB9ANAMPTMAPT
SCHEMBL18570243 0.86 CYP17A1 (0.61) SMN1; SMN2NPC1RAB9ATAAR1KMT2A
SCHEMBL27942342 0.86 PDK1 (0.51) SMN1; SMN2NPC1NAMPTCYP17A1
SCHEMBL27488151 0.86 SMN1; SMN2 (0.53) SMN1; SMN2TP53EPHX1TSHREPHX2

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-20120196884-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORPORATION (FI) 2012-08-02 — — US disclosed
US-20120196884-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORPORATION (FI) 2012-08-02 — — US disclosed
WO-2010146236-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORP. (FI) 2010-12-23 — — WO disclosed
WO-2010146236-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORP. (FI) 2010-12-23 — — 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-20120196884-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES ITGA1, ITGB1, ITGA2B SMN1; SMN2 3298/4885TP53 2060/4885EPHX1 619/4885

“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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