SCHEMBL15934972

SCHEMBL15934972

CC(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.43
PDE2A O00408 5/20 0.40
GPR35 Q9HC97 3/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HIF1A Q16665 1/20 0.35
TXNRD1 Q16881 1/20 0.35
TXNRD3 Q86VQ6 1/20 0.35
TXNRD2 Q9NNW7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32
KCNH2 Q12809 1/20 0.32
CES2 O00748 1/20 0.32
NOTUM Q6P988 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
SCHEMBL15934963 0.82 PDE2A (0.41) P2RX7PDE2AGPR35ALDH1A1CYP3A4
SCHEMBL1042850 0.79 ALDH1A1 (0.45) GPR35ALDH1A1CYP3A4HPGDALOX15
SCHEMBL13799252 0.78 PDE2A (0.33) P2RX7PDE2AGABRA1HTR2ACES2
SCHEMBL23547617 0.78 PDE2A (0.37) P2RX7PDE2AGABRA1HTR2ACES2
SCHEMBL26938094 0.78 PDE2A (0.34) PDE2AGPR35CES2NOTUMAR
SCHEMBL17487268 0.78 P2RX7 (0.41) P2RX7PDE2AGPR35ALDH1A1CYP3A4
SCHEMBL29316639 0.77 CA1 (0.43) PDE2ACYP3A4HPGDTSHRHIF1A
SCHEMBL24455318 0.76 PDE2A (0.46) PDE2AALDH1A1CYP3A4GABRA1GABRB1
SCHEMBL13550148 0.75 RAPGEF4 (0.43) P2RX7PDE2AGPR35ALDH1A1CYP3A4
SCHEMBL9861275 0.75 PDE2A (0.36) PDE2AALDH1A1TSHRGABRA1HTR2A

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-20140221411-A1 2-HYDROXYARYLAMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER CONTAINING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2014-08-07 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-20140221411-A1 2-HYDROXYARYLAMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER CONTAINING SAME AS ACTIVE INGREDIENT TMPRSS2, TMPRSS4, PRSS2 P2RX7 4289/4885PDE2A 1914/4885GPR35 2351/4885

“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.