SCHEMBL2463231

SCHEMBL2463231

CC(=O)c1csc(-n2cc(C)cc2-c2ccc(S(N)(=O)=O)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 11/20 0.47
CA12 O43570 10/20 0.47
CA1 P00915 10/20 0.47
CA9 Q16790 10/20 0.47
CHRNA7 P36544 7/20 0.43
PTGES O14684 1/20 0.38
HDAC3 O15379 1/20 0.38
PDPK1 O15530 1/20 0.38
PDE5A O76074 1/20 0.38
ABCB11 O95342 1/20 0.38
MT-CO2 P00403 1/20 0.38
LMNA P02545 1/20 0.38
CA3 P07451 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX5 P09917 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
ADRB3 P13945 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL348164 0.85 CA2 (0.44) CA2CA12CA1CA9CHRNA7
SCHEMBL2467917 0.80 CHRNA7 (0.44) CA2CA12CA1CA9CHRNA7
SCHEMBL27548598 0.73 CHRNA7 (0.52) CA2CA12CA1CA9CHRNA7
SCHEMBL347020 0.73 PTGS2 (0.58) CA2CA12CA1CA9CHRNA7
SCHEMBL5312529 0.73 PTGS2 (0.58) CA2CA12CA1CA9CHRNA7
SCHEMBL2839074 0.72 CHRNA7 (0.53) CA2CA12CA1CA9CHRNA7
SCHEMBL2463227 0.71 CHRNA7 (0.50) CA2CA12CA1CA9CHRNA7
SCHEMBL5315712 0.71 PTGS2 (0.52) CA2CA12CA1CA9PTGES
SCHEMBL3445658 0.71 CHRNA7 (0.52) CA2CA12CA1CA9CHRNA7
SCHEMBL27548597 0.71 CHRNA7 (0.57) CA2CA1CA9CHRNA7CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0927555-B1 Use of cyclooxygenase-2 inhibitors for the treatment and prevention of tumours, tumour-related disorders and cachexia DAIICHI SANKYO CO LTD (JP) 2011-10-05 EP claimed
US-20050014814-A1 Methods and compositions for the treatment and prevention of tumors, tumor-related disorders and cachexia SANKYO COMPANY, LIMITED (JP) 2005-01-20 US claimed
EP-0927555-A1 Use of cyclooxygenase-2 inhibitors for the treatment and prevention of tumors, tumor-related disorders and cachexia Sankyo Company Limited (JP) 1999-07-07 EP claimed
EP-0927555-B1 Use of cyclooxygenase-2 inhibitors for the treatment and prevention of tumours, tumour-related disorders and cachexia DAIICHI SANKYO CO LTD (JP) 2011-10-05 EP disclosed
US-7745481-B2 Methods and compositions for the treatment and prevention of tumors, tumor-related disorders and cachexia DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-06-29 US disclosed
EP-0799823-B1 1,2-Diphenylpyrrole derivatives, their preparation and their therapeutic uses DAIICHI SANKYO CO LTD (JP) 2007-10-31 EP disclosed
US-RE39420-E1 1,2-Diphenylpyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-12-05 US disclosed
US-6887893-B1 Methods and compositions for treatment and prevention of tumors, tumor-related disorders and cachexia SANKYO COMPANY, LIMITED (JP) 2005-05-03 US disclosed
US-20050014814-A1 Methods and compositions for the treatment and prevention of tumors, tumor-related disorders and cachexia SANKYO COMPANY, LIMITED (JP) 2005-01-20 US disclosed
US-20050004109-A1 Methods and compositions for the treatment and prevention of tumors, tumor-related disorders and cachexia SANKYO COMPANY, LIMITED 2005-01-06 US disclosed
EP-0927555-A1 Use of cyclooxygenase-2 inhibitors for the treatment and prevention of tumors, tumor-related disorders and cachexia Sankyo Company Limited (JP) 1999-07-07 EP disclosed
US-5908858-A OSTEOPOROSIS; LEUKOTRIENE INHIBITOR SANKYO COMPANY, LIMITED (JP) 1999-06-01 US disclosed
EP-0799823-A1 1,2-Diphenylpyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY LIMITED (JP) 1997-10-08 EP 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-20050014814-A1 Methods and compositions for the treatment and prevention of tumors, tumor-related disorders and cachexia CPT1B, PYGM, PTGES2 CA2 520/4885CA12 806/4885CA1 981/4885
US-20050004109-A1 Methods and compositions for the treatment and prevention of tumors, tumor-related disorders and cachexia CPT1B, PYGM, PTGES2 CA2 520/4885CA12 806/4885CA1 981/4885

“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.