SCHEMBL16140751

SCHEMBL16140751

CCC(CC)(CCc1ccc(OC)c(C(F)(F)F)c1)NC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.44
S1PR5 Q9H228 1/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
PPARA Q07869 3/20 0.40
PPARD Q03181 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PPARG P37231 1/20 0.39
ATM Q13315 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39

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
SCHEMBL79439 0.91 S1PR1 (0.47) S1PR1S1PR5PPARAPPARDKDM4E
SCHEMBL2469794 0.82 PKM (0.47) S1PR1S1PR5RXRARXRBRXRG
SCHEMBL16140749 0.79 THRA (0.41) PPARAPPARDKDM4EATM
SCHEMBL2469798 0.78 S1PR1 (0.37) S1PR1S1PR5RXRARXRBRXRG
SCHEMBL13851997 0.78 S1PR1 (0.38) S1PR1S1PR5PPARAPPARDKDM4E
SCHEMBL2468566 0.77 S1PR1 (0.70) S1PR1S1PR5RXRARXRBRXRG
SCHEMBL3493151 0.77 S1PR1 (0.59) S1PR1S1PR5RXRARXRBRXRG
SCHEMBL86406 0.75 S1PR1 (0.43) S1PR1S1PR5RXRARXRBRXRG
SCHEMBL13461833 0.74 CTSS (0.49) S1PR1KDM4EATM
SCHEMBL31572513 0.74 ROCK2 (0.43) S1PR1S1PR5KDM4ETDP1ATM

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-20140296183-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-02 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-20140296183-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES HRH3, HRH2, HRH4 S1PR1 370/4885S1PR5 463/4885RXRA 2471/4885

“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.