SCHEMBL10107274

SCHEMBL10107274

COc1cc(-c2ccc(C(F)(F)F)cc2)c(/C(C)=N/OCc2ccc(N=O)cc2)cc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.42
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
DUSP3 P51452 1/20 0.36
BACE1 P56817 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
ADCYAP1R1 P41586 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPN6 P29350 1/20 0.35
TMEM97 Q5BJF2 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
SCHEMBL10106953 0.90 S1PR1 (0.39) S1PR1PPARGPPARA
SCHEMBL10106955 0.89 CA12 (0.42) S1PR1PPARGPPARADUSP3KDM4E
SCHEMBL10106954 0.88 S1PR1 (0.38) S1PR1BACE1MAPT
SCHEMBL10107078 0.88 S1PR1 (0.41) S1PR1PPARGPPARABACE1CYP3A4
SCHEMBL10106946 0.87 S1PR1 (0.38) S1PR1PPARGPPARAMAPTRAB9A
SCHEMBL10107270 0.87 S1PR1 (0.38) S1PR1CYP1A2CYP3A4PTPN1
SCHEMBL10107076 0.87 S1PR1 (0.43) S1PR1PPARGPPARAKDM4ECYP3A4
SCHEMBL10107079 0.86 HSP90AA1 (0.39) S1PR1KDM4EMAPTRAB9A
SCHEMBL10107052 0.86 S1PR1 (0.40) S1PR1PPARGPPARAMAPTRAB9A
SCHEMBL10106948 0.82 CYP17A1 (0.39) S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046255-A1 NON-STEROIDAL COMPOUNDS THE UNIVERSITY OF MELBOURNE of ROYAL PARADE PARKVILLE (AU) 2012-02-23 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-20120046255-A1 NON-STEROIDAL COMPOUNDS PTGES2, PTGES, PTGES3 S1PR1 909/4885PPARG 171/4885PPARA 317/4885

“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.