SCHEMBL3587016

SCHEMBL3587016

CC(C)(C)COc1ccc(Br)cc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.48
AAK1 Q2M2I8 10/20 0.40
CYP3A4 P08684 2/20 0.40
USP2 O75604 1/20 0.39
ALPL P05186 1/20 0.39
ALOX15 P16050 1/20 0.39
GSK3A P49840 1/20 0.38
PRKG2 Q13237 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
SLC6A4 P31645 1/20 0.38
KDM1A O60341 2/20 0.37
NPY1R P25929 1/20 0.36
MAOA P21397 1/20 0.36

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
SCHEMBL12144509 0.87 PTGDR2 (0.49) S1PR4PTGDR2AAK1CYP3A4USP2
SCHEMBL8236376 0.83 S1PR4 (0.50) S1PR4PTGDR2
SCHEMBL18704596 0.80 S1PR4 (0.54) S1PR4PTGDR2USP2SLC6A4
SCHEMBL17143366 0.80 AAK1 (0.65) AAK1CYP3A4GSK3APRKG2MKNK2
SCHEMBL17143603 0.80 AAK1 (0.65) AAK1CYP3A4GSK3APRKG2MKNK2
SCHEMBL3590426 0.79 AAK1 (0.52) PTGDR2AAK1SLC6A4
SCHEMBL30006527 0.78 S1PR4 (0.46) S1PR4PTGDR2USP2ALPLALOX15
SCHEMBL2273425 0.77 S1PR4 (0.44) S1PR4PTGDR2SLC6A4KDM1A
SCHEMBL29427047 0.77 S1PR4 (0.44) S1PR4PTGDR2SLC6A4KDM1A
SCHEMBL2146473 0.77 S1PR4 (0.51) S1PR4PTGDR2KDM1ANPY1RMAOA

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-20100004459-A1 2-PHENYLNICOTINIC ACID DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
EP-2128136-A1 2-PHENYLNICOTINIC ACID DERIVATIVE Nippon Zoki Pharmaceutical Co., Ltd. (JP) 2009-12-02 EP 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-20100004459-A1 2-PHENYLNICOTINIC ACID DERIVATIVE XDH, NUDT1, PNPO S1PR4 2355/4885PTGDR2 3811/4885AAK1 1888/4885

“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.