SCHEMBL6431986

SCHEMBL6431986

O=C(O)C1(C(F)(F)F)C=Cc2ccccc2N1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
GAA P10253 1/20 0.37
POLB P06746 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
P2RX4 Q99571 1/20 0.31
CES1 P23141 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL28059865 0.75 MAPT (0.43) MAPTGAAHSD17B10RAB9ASMN1; SMN2
SCHEMBL31448339 0.75 MAPT (0.43) MAPTGAAHSD17B10RAB9ASMN1; SMN2
SCHEMBL4796337 0.73 MAPT (0.42) MAPTGAAHSD17B10RAB9ASMN1; SMN2
SCHEMBL29896250 0.73 MAPT (0.42) MAPTGAAHSD17B10RAB9ASMN1; SMN2
SCHEMBL27487117 0.73 GAA (0.42) MAPTGAA
SCHEMBL984966 0.72 MAPT (0.41) MAPTGAAPOLBHSD17B10RAB9A
SCHEMBL9782872 0.72 MAPT (0.41) MAPTGAAHSD17B10RAB9ASMN1; SMN2
SCHEMBL3912413 0.71 MAPT (0.39) MAPTGAAHSD17B10RAB9ASMN1; SMN2
SCHEMBL31305217 0.70 MAPT (0.35) MAPTGAAHSD17B10RAB9ASMN1; SMN2
SCHEMBL3222750 0.66 MAPT (0.41) MAPTGAAPOLBRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1536863-A1 USE OF CYCLOOXYGENASE-2 SELECTIVE INHIBITORS AND THROMBOLYTIC AGENTS FOR THE TREATMENT OR PREVENTION OF A VASO-OCCLUSIVE EVENT Pharmacia Corporation (US) 2005-06-08 EP claimed
EP-1427326-A4 COMBINATION THERAPY FOR THE TREATMENT OF CANCER SUGEN INC (US) 2005-06-08 EP claimed
EP-1435956-A2 THERAPEUTIC COMBINATIONS FOR CARDIOVASCULAR AND INFLAMMATORY INDICATIONS Pharmacia Corporation (US) 2004-07-14 EP claimed
EP-1427326-A2 COMBINATION THERAPY FOR THE TREATMENT OF CANCER Sugen, Inc. (US) 2004-06-16 EP claimed
EP-1406696-A1 USE OF COMPOSITIONS COMPRISING CYCLOOXYGENASE-2 SELECTIVE INHIBITORS IN COMBINATION WITH RADIATION FOR INHIBITION OR PREVENTION OF CARDIOVASCULAR DISEASE Pharmacia Corporation (US) 2004-04-14 EP claimed
WO-2004004833-A1 USE OF CYCLOOXYGENASE-2 SELECTIVE INHIBITORS AND THROMBOLYTIC AGENTS FOR THE TREATMENT OR PREVENTION OF A VASO-OCCLUSIVE EVENT PHARMACIA CORPORATION (US) 2004-01-15 WO claimed
WO-2003015608-A2 COMBINATION THERAPY FOR THE TREATMENT OF CANCER SUGEN, INC. (US) 2003-02-27 WO claimed
WO-2002096516-A1 USE OF COMPOSITIONS COMPRISING CYCLOOXYGENASE-2 SELECTIVE INHIBITORS IN COMBINATION WITH RADIATION FOR INHIBITION OR PREVENTION OF CARDIOVASCULAR DISEASE PHARMACIA CORPORATION (US) 2002-12-05 WO claimed
WO-2002078626-A2 THERAPEUTIC COMBINATIONS FOR CARDIOVASCULAR AND INFLAMMATORY INDICATIONS PHARMACIA CORPORATION (US) 2002-10-10 WO claimed
EP-0977748-A1 SUBSTITUTED BENZOPYRAN DERIVATIVES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 2000-02-09 EP claimed
WO-1998047890-A1 SUBSTITUTED BENZOPYRAN DERIVATIVES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-10-29 WO claimed
WO-2018049008-A1 DASH INHIBITORS, AND USES RELATED THERETO TRUSTEES OF TUFTS COLLEGE (US) 2018-03-15 WO disclosed
US-20050085477-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a serotonin-modulating agent for the treatment of neoplasia PHARMACIA CORPORATION 2005-04-21 US disclosed
CN-1150181-C Substituted benzopyran analogs for treatment of inflammation GD 2004-05-19 CN disclosed
EP-1363669-A2 METHOD OF USING A CYCLOOXYGENASE-2 INHIBITOR AND SEX STEROIDS AS A COMBINATION THERAPY FOR THE TREATMENT AND PREVENTION OF DISMENORRHEA Pharmacia Corporation (US) 2003-11-26 EP disclosed
CN-1329607-A Substituted benzopyran analogs for the treatment of inflammation SEARLE & CO (US) 2002-01-02 CN disclosed
EP-1123285-A1 SUBSTITUTED BENZOPYRAN ANALOGS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 2001-08-16 EP disclosed
WO-2000023433-A1 SUBSTITUTED BENZOPYRAN ANALOGS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 2000-04-27 WO disclosed
EP-0977748-A1 SUBSTITUTED BENZOPYRAN DERIVATIVES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 2000-02-09 EP disclosed
WO-1998047890-A1 SUBSTITUTED BENZOPYRAN DERIVATIVES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-10-29 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 (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-20050085477-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a serotonin-modulating agent for the treatment of neoplasia TPH2, TPH1, HTR2A MAPT 3499/4885GAA 4341/4885POLB 2064/4885

“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.