SCHEMBL3072336

SCHEMBL3072336

COc1ccc2ccc(OS(=O)(=O)C(F)(F)F)c(-c3nnc(N[C@H](C)c4ccccc4)c4ccccc34)c2c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 5/20 0.41
CCNE2 O96020 3/20 0.37
CCNE1 P24864 3/20 0.37
CDK2 P24941 3/20 0.37
CDK4 P11802 2/20 0.37
CCND1 P24385 2/20 0.37
EGFR P00533 5/20 0.37
KRAS P01116 4/20 0.37
AURKA O14965 1/20 0.36
RPS6KB1 P23443 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
PLK1 P53350 1/20 0.36
CA9 Q16790 1/20 0.35

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
SCHEMBL5325131 0.95 SOS1 (0.40) SOS1CCNE2CCNE1CDK2CDK4
SCHEMBL12792113 0.90 CCNE2 (0.41) SOS1CCNE2CCNE1CDK2CDK4
SCHEMBL12792077 0.90 CCNE2 (0.41) SOS1CCNE2CCNE1CDK2CDK4
SCHEMBL3066318 0.87 MTNR1A (0.35) ALDH1A1TP53MAPTHPGDCA9
SCHEMBL3073070 0.82 ADORA2A (0.40) ALDH1A1TP53MAPT
SCHEMBL3081959 0.78 SOS1 (0.42) SOS1EGFRKRASAURKARPS6KB1
SCHEMBL3084379 0.77 CA1 (0.33) ALDH1A1
SCHEMBL1304599 0.77 MTNR1A (0.41) ALDH1A1KDM4EMAPT
SCHEMBL3072846 0.77 GAA (0.33) ALDH1A1KDM4EHPGDGPR55
SCHEMBL5325178 0.73 MAPT (0.34) MAPTGPR55

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
US-7790882-B2 Monophosphine compound, transition metal complex thereof and production method of optically active compound using the complex as asymmetric catalyst Carreira, Erick M. (CH) 2010-09-07 US disclosed
EP-1773853-A1 MONOPHOSPHINE COMPOUNDS, TRANSITION METAL COMPLEXES THEREOF AND PRODUCTION OF OPTICALLY ACTIVE COMPOUNDS USING THE COMPLEXES AS ASYMMETRIC CATALYSTS Sumitomo Chemical Company, Limited (JP) 2007-04-18 EP disclosed
WO-2005121157-A1 MONOPHOSPHINE COMPOUNDS, TRANSITION METAL COMPLEXES THEREOF AND PRODUCTION OF OPTICALLY ACTIVE COMPOUNDS USING THE COMPLEXES AS ASYMMETRIC CATALYSTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-12-22 WO disclosed
US-20050277772-A1 Monophosphine compound, transition metal complex thereof and production method of optically active compound using the complex as asymmetric catalyst Carreira, Erick (CH) 2005-12-15 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 (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-20050277772-A1 Monophosphine compound, transition metal complex thereof and production method of optically active compound using the complex as asymmetric catalyst C1R, ARL1, C5 SOS1 1644/4885CCNE2 860/4885CCNE1 1306/4885

“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.