SCHEMBL17700421

SCHEMBL17700421

CC(F)(F)CN(C(=O)O)c1ncccc1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.38
POLB P06746 1/20 0.38
OPRM1 P35372 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
DHODH Q02127 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
P2RY1 P47900 4/20 0.35
TRPV1 Q8NER1 2/20 0.34
GAA P10253 2/20 0.34
TACR1 P25103 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
P2RY14 Q15391 1/20 0.33
SSTR4 P31391 1/20 0.33
CTNNB1 P35222 1/20 0.33
WNT3A P56704 1/20 0.33

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
SCHEMBL3398129 0.76 P2RY1 (0.38) NAPRTPOLBKDM4EALDH1A1P2RY1
SCHEMBL17817791 0.75 POLB (0.61) POLBALDH1A1GAA
SCHEMBL5242161 0.74 P2RY1 (0.39) POLBKDM4EALDH1A1P2RY1GAA
SCHEMBL14803694 0.71 ALDH1A1 (0.38) KDM4EALDH1A1P2RY1TACR1TDP1
SCHEMBL14803892 0.69 KDM4E (0.38) POLBKDM4EALDH1A1P2RY1TDP1
SCHEMBL14803583 0.68 SMN1; SMN2 (0.36) ALDH1A1P2RY1GAATDP1
SCHEMBL17700417 0.68 KDM4E (0.38) NAPRTPOLBKDM4EALDH1A1GAA
SCHEMBL30744808 0.67 KDM4E (0.52) NAPRTDHODHHDAC6KDM4EALDH1A1
SCHEMBL14803588 0.67 ALDH1A1 (0.34) KDM4EALDH1A1P2RY1GAATDP1
SCHEMBL14803703 0.67 HSD17B10 (0.42) POLBKDM4EALDH1A1TRPV1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9776962-B2 Aromatic compounds with GPR40 agonistic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-03 US disclosed
US-20160115128-A1 AROMATIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-04-28 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-20160115128-A1 AROMATIC COMPOUND GLP1R, GPR119, GPR39 NAPRT 3677/4885POLB 4857/4885OPRM1 2606/4885

“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.