SCHEMBL4575282

SCHEMBL4575282

CS(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1Oc1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 2/20 0.55
MRGPRX1 Q96LB2 2/20 0.52
PTGS1 P23219 4/20 0.49
PTGS2 P35354 4/20 0.49
CYP19A1 P11511 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
MLNR O43193 1/20 0.49
LMNA P02545 1/20 0.49
MMP1 P03956 1/20 0.49
MPO P05164 1/20 0.49
CYP1A2 P05177 1/20 0.49
GLA P06280 1/20 0.49
CYP3A4 P08684 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
TBXA2R P21731 1/20 0.49

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
SCHEMBL14280459 0.88 MRGPRX1 (0.54) MRGPRX1PTGS1PTGS2CYP19A1KDM4E
SCHEMBL4575511 0.87 PTGS1 (0.57) SOS1MRGPRX1PTGS1PTGS2CYP19A1
SCHEMBL8107798 0.85 PTGS2 (0.56) SOS1PTGS1PTGS2CYP19A1CA1
SCHEMBL6599365 0.81 PTGS2 (0.48) MRGPRX1PTGS1PTGS2CYP19A1KDM4E
SCHEMBL9657014 0.78 MRGPRX1 (0.51) MRGPRX1PTGS1PTGS2CYP19A1KDM4E
SCHEMBL8105031 0.76 SOS1 (0.59) SOS1PTGS1PTGS2MAPTCA1
SCHEMBL8099526 0.75 CYP19A1 (0.42) MRGPRX1PTGS1PTGS2CYP19A1KDM4E
SCHEMBL8101831 0.75 MAPK1 (0.46) PTGS1PTGS2CYP19A1KDM4EMEN1
SCHEMBL8107162 0.74 PTGS1 (0.61) PTGS1PTGS2CYP19A1LMNAADORA3
SCHEMBL11180303 0.74 PTGS2 (0.52) MRGPRX1PTGS1PTGS2CYP19A1KDM4E

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 65 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1520324-A Antiangiogenic combination thereapy for treatment of cancer 2004-08-11 CN claimed
EP-1414526-A2 ANTIANGIOGENIC COMBINATION THERAPY FOR THE TREATMENT OF CANCER Pharmacia Corporation (US) 2004-05-06 EP claimed
US-20030087942-A1 Method for the treatment and prevention of cachexia WASHINGTON UNIVERSITY 2003-05-08 US claimed
WO-2003020268-A1 METHOD FOR THE TREATMENT AND PREVENTION OF CACHEXIA WASHINGTON UNIVERSITY (US) 2003-03-13 WO claimed
WO-2002085459-A2 ANTIANGIOGENIC COMBINATION THERAPY FOR THE TREATMENT OF CANCER PHARMACIA CORPORATION (US) 2002-10-31 WO claimed
CN-1371286-A Use of cyclooxygenase-2 inhibitor matrix metallappoteinase inhibitor antineoplastic agent and optionally radiation as combination treatment of neoplasia SEARLE & CO (US) 2002-09-25 CN claimed
US-20020103141-A1 Antiangiogenic combination therapy for the treatment of cancer PHARMACIA CORPORATION 2002-08-01 US claimed
CN-1346282-A Use of a cyclooxygenase-2 inhibitor and one or more antineoplastic agents as combination therapy method in treating neoplasia SEARLE & CO (US) 2002-04-24 CN claimed
EP-1140192-A2 USE OF A CYCLOOXYGENASE-2 INHIBITOR AND ONE OR MORE ANTINEOPLASTIC AGENTS FOR COMBINATION THERAPY IN NEOPLASIA G.D. SEARLE & CO. (US) 2001-10-10 EP claimed
EP-1140194-A2 USE OF CYCLOOXYGENASE-2 INHIBITOR, A MATRIX METALLAPROTEINASE INHIBITOR, AN ANTINEOPLASTIC AGENT AND OPTIONALLY RADIATION AS A COMBINED TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2001-10-10 EP claimed
EP-1140179-A2 USE OF A CYCLOOXYGENASE 2 INHIBITOR AND AN INTEGRIN ANTAGONIST AS A COMBINATION THERAPY IN THE TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2001-10-10 EP claimed
WO-2000038730-A2 USE OF A CYCLOOXYGENASE-2 INHIBITOR AND ONE OR MORE ANTINEOPLASTIC AGENTS FOR COMBINATION THERAPY IN NEOPLASIA G.D. SEARLE & CO. (US) 2000-07-06 WO claimed
WO-2000038786-A2 USE OF CYCLOOXYGENASE 2 INHIBITOR AND AN INTEGRIN ANTAGONIST AS A COMBINATION THERAPY IN THE TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2000-07-06 WO claimed
WO-2000037107-A2 USE OF CYCLOOXYGENASE-2 INHIBITOR, A MATRIX METALLAPROTEINASE INHIBITOR, AN ANTINEOPLASTIC AGENT AND OPTIONALLY RADIATION AS A COMBINATION TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2000-06-29 WO claimed
US-7320996-B2 Indolinone protein kinase inhibitors and cyclooxygenase inhibitors for use in combination therapy for the treatment of cancer SUGEN, INC (US) 2008-01-22 US disclosed
US-7320996-B2 Indolinone protein kinase inhibitors and cyclooxygenase inhibitors for use in combination therapy for the treatment of cancer SUGEN, INC (US) 2008-01-22 US disclosed
EP-1303308-B1 ALDOSTERONE ANTAGONIST AND CYCLOOXYGENASE-2 INHIBITOR COMBINATION THERAPY TO PREVENT OR TREAT INFLAMMATION-RELATED CARDIOVASCULAR DISORDERS PHARMACIA CORP (US) 2006-09-06 EP disclosed
WO-2000038730-A2 USE OF A CYCLOOXYGENASE-2 INHIBITOR AND ONE OR MORE ANTINEOPLASTIC AGENTS FOR COMBINATION THERAPY IN NEOPLASIA G.D. SEARLE & CO. (US) 2000-07-06 WO disclosed
WO-2000038786-A2 USE OF CYCLOOXYGENASE 2 INHIBITOR AND AN INTEGRIN ANTAGONIST AS A COMBINATION THERAPY IN THE TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2000-07-06 WO disclosed
WO-2000037107-A2 USE OF CYCLOOXYGENASE-2 INHIBITOR, A MATRIX METALLAPROTEINASE INHIBITOR, AN ANTINEOPLASTIC AGENT AND OPTIONALLY RADIATION AS A COMBINATION TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2000-06-29 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 (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-20020103141-A1 Antiangiogenic combination therapy for the treatment of cancer TOP2A, TOP2B, TOP1 SOS1 3985/4885MRGPRX1 1954/4885PTGS1 6/4885
US-20030087942-A1 Method for the treatment and prevention of cachexia TNF, PTGES2, PTGS2 SOS1 4546/4885MRGPRX1 1435/4885PTGS1 4/4885

“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.