SCHEMBL3597833

SCHEMBL3597833

Cc1c(CCCOS(C)(=O)=O)cc(F)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MMP9 P14780 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
TTR P02766 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA13 Q8N1Q1 1/20 0.30

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
SCHEMBL5232827 0.81 KDM4E (0.47) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL3899800 0.74 HTR2A (0.43) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL8094245 0.73 TYR (0.40) ALDH1A1ALOX15TSHR
SCHEMBL27176755 0.73 KDM4E (0.43) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL3578553 0.73 LMNA (0.45) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL20395750 0.71 KDM4E (0.47) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL8082934 0.69 HMGCR (0.34) KDM4EALDH1A1TSHR
SCHEMBL17643085 0.69 TAAR1 (0.47) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL8090926 0.68 ALDH1A1 (0.34) KDM4EALDH1A1TSHR
SCHEMBL30173751 0.67 KDM4E (0.50) KDM4EUSP2ALDH1A1LMNAMMP9

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 KDM4E 2392/4885USP2 1429/4885ALDH1A1 429/4885

“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.