SCHEMBL2931903

SCHEMBL2931903

NC(=O)c1[nH]c2ccc(Br)cc2c1S(=O)(=O)N1C[C@@H]2O[C@@H]2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.46
SIRT1 Q96EB6 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
PRNP P04156 1/20 0.37
CYP1A2 P05177 1/20 0.37
PPARG P37231 1/20 0.37
HIF1A Q16665 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NR2E3 Q9Y5X4 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34

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
SCHEMBL2924649 1.00 RXFP1 (0.46) RXFP1SIRT1MEN1KMT2APOLB
SCHEMBL2930135 0.89 RXFP1 (0.42) RXFP1SIRT1MEN1KMT2APOLB
SCHEMBL3606849 0.84 RXFP1 (0.40) RXFP1SIRT1MEN1KMT2ACYP2C9
SCHEMBL3606479 0.84 MAPK1 (0.43) RXFP1SIRT1KMT2ACYP2C9CYP2C19
SCHEMBL2924397 0.84 ALDH1A1 (0.41) RXFP1SIRT1CYP2C9CYP2C19PRNP
SCHEMBL2930507 0.83 MAP2 (0.43) RXFP1MEN1KMT2APOLBNPSR1
SCHEMBL3609170 0.83 MAPK1 (0.45) RXFP1SIRT1KMT2ACYP2C9CYP2C19
SCHEMBL3614435 0.83 RXFP1 (0.40) RXFP1SIRT1MEN1KMT2APOLB
SCHEMBL3609347 0.82 SIRT1 (0.40) RXFP1SIRT1KMT2APOLBCYP2C9
SCHEMBL2926511 0.82 RXFP1 (0.40) RXFP1SIRT1MEN1KMT2APOLB

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
EP-1534695-B1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME (US) 2010-09-29 EP disclosed
US-20090186871-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2009-07-23 US disclosed
US-7560546-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2009-07-14 US disclosed
US-20050261496-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME LLC 2005-11-24 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-20050261496-A1 Tyrosine kinase inhibitors ABL1, JAK2, ERBB2 RXFP1 706/4885SIRT1 2309/4885MEN1 2270/4885
US-20090186871-A1 Tyrosine kinase inhibitors ABL1, JAK2, ERBB2 RXFP1 706/4885SIRT1 2309/4885MEN1 2270/4885

“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.