SCHEMBL3597828

SCHEMBL3597828

CS(=O)(=O)OCCCc1ccccc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.48
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
IDO1 P14902 2/20 0.42
SCN8A Q9UQD0 1/20 0.42
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
USP2 O75604 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
ALOX5 P09917 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
RECQL P46063 1/20 0.40
GAA P10253 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL3583043 0.95 NPSR1 (0.47) NPSR1HDAC1HDAC8IDO1SCN8A
SCHEMBL9016848 0.91 NPSR1 (0.50) NPSR1HDAC1HDAC8IDO1SCN8A
SCHEMBL5136361 0.84 ALDH1A1 (0.40) NPSR1HDAC1HDAC8ALDH1A1KDM4E
SCHEMBL16394775 0.82 LMNA (0.39) NPSR1ALDH1A1KDM4EUSP2LMNA
SCHEMBL3537907 0.82 PDE3B (0.46) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL4679010 0.81 IDO1 (0.56) NPSR1IDO1ALDH1A1KDM4ETDP1
SCHEMBL3578553 0.80 LMNA (0.45) IDO1ALDH1A1KDM4EUSP2LMNA
SCHEMBL12016034 0.79 IDO1 (0.49) HDAC1HDAC8IDO1SCN8AALDH1A1
SCHEMBL16726994 0.78 NPSR1 (0.41) NPSR1IDO1SCN8AALDH1A1KDM4E
SCHEMBL28546770 0.77 HDAC1 (0.50) NPSR1HDAC1HDAC8IDO1ALOX5

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 NPSR1 2928/4885HDAC1 2272/4885HDAC8 2670/4885

“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.