SCHEMBL1892301

SCHEMBL1892301

CC(C)OCCNS(=O)(=O)c1ccc(N)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
TSHR P16473 3/20 0.49
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
CA9 Q16790 4/20 0.45
CA12 O43570 3/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL29715364 0.77 CA1 (0.56) ALDH1A1CA1CA2CA9CA12
SCHEMBL23092777 0.77 CA1 (0.56) ALDH1A1CA1CA2CA9CA12
SCHEMBL22612184 0.77 TSHR (0.56) ALDH1A1TSHRCA1CA2CA9
SCHEMBL3915657 0.75 GAA (0.58) ALDH1A1TSHRHTTSMN1; SMN2KDM4E
SCHEMBL11533198 0.72 ALDH1A1 (0.59) ALDH1A1TSHRCA1CA2CA9
SCHEMBL31347291 0.72 CA1 (0.61) ALDH1A1CA1CA2CA9CA12
SCHEMBL22612213 0.72 CA1 (0.61) ALDH1A1CA1CA2CA9CA12
SCHEMBL6947428 0.70 PKLR (0.52) ALDH1A1TSHRHTTKMT2AMEN1
SCHEMBL806977 0.70 CA2 (0.63) ALDH1A1CA1CA2CA9CA12
SCHEMBL7451623 0.69 ALDH1A1 (0.51) ALDH1A1CA1CA2CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546429-B2 1,2,3-trisubstituted aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2013-10-01 US disclosed
US-20110112060-A1 1,2,3-TRISUBSTITUTED ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2011-05-12 US disclosed
US-7838525-B2 Trisubstituted aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2010-11-23 US disclosed
US-7470699-B2 Trisubstituted aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2008-12-30 US disclosed
EP-1923390-A1 Trisubstituted aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto Arena Pharmaceuticals, Inc. (US) 2008-05-21 EP disclosed
US-20070155763-A1 Trisubstituted aryl and heteroaryl derivatives as modulators of metabolism and the phophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2007-07-05 US disclosed
EP-1644357-A1 TRISUBSTITUTED ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2006-04-12 EP disclosed
WO-2005007647-A9 TRISUBSTITUTED ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2005-04-07 WO disclosed
US-20050070562-A1 Trisubstituted aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. 2005-03-31 US disclosed
WO-2005007647-A1 TRISUBSTITUTED ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2005-01-27 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 (3 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-20110112060-A1 1,2,3-TRISUBSTITUTED ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO CYP7A1, CYP27A1, SULT2A1 ALDH1A1 163/4885TSHR 1283/4885CA1 4719/4885
US-20070155763-A1 Trisubstituted aryl and heteroaryl derivatives as modulators of metabolism and the phophylaxis and treatment of disorders related thereto CYP27A1, CYP11B2, CYP11B1 ALDH1A1 515/4885TSHR 832/4885CA1 4832/4885
US-20050070562-A1 Trisubstituted aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto CYP7A1, CYP27A1, SULT2A1 ALDH1A1 217/4885TSHR 976/4885CA1 4857/4885

“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.