SCHEMBL3462199

SCHEMBL3462199

Cc1cc(N)ccc1N(C)S(=O)(=O)c1cccc(-c2ccc(F)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 5/20 0.43
HSD17B2 P37059 5/20 0.43
TAAR1 Q96RJ0 1/20 0.41
NR1H3 Q13133 3/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
NR1H2 P55055 2/20 0.38
LMNA P02545 1/20 0.37
ITGB1 P05556 1/20 0.37
ITGA2 P17301 1/20 0.37

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
SCHEMBL3461784 0.83 HSD17B1 (0.59) HSD17B1HSD17B2TAAR1NR1H3
SCHEMBL3462121 0.82 HSD17B1 (0.56) HSD17B1HSD17B2TAAR1NR1H3CA12
SCHEMBL3461442 0.81 CYP19A1 (0.45) HSD17B1HSD17B2LMNACYP3A4
SCHEMBL3461375 0.78 CNR1 (0.54) CA12CA1CA2CA9ITGB1
SCHEMBL3381894 0.76 LMNA (0.61) CA12CA9LMNACYP3A4CYP2C9
SCHEMBL14018611 0.75 HSD17B1 (0.62) HSD17B1HSD17B2NR1H3
SCHEMBL4183469 0.72 HSD17B1 (0.57) HSD17B1HSD17B2NR1H3LMNAITGB1
SCHEMBL7807791 0.71 CNR1 (0.54) CA12CA1CA2CA9ITGB1
SCHEMBL15958221 0.70 L3MBTL1 (0.52) LMNACYP3A4CYP2C9CYP2C19
SCHEMBL5831675 0.70 PTGS2 (0.56) NR1H3MAOAMAOBNR1H2ITGB1

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 5 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
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 HSD17B1 4416/4885HSD17B2 4454/4885TAAR1 3271/4885

“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.