SCHEMBL3580775

SCHEMBL3580775

CS(=O)(=O)Oc1ccc(CCOc2ccc(-c3ncccc3C(=O)OCc3ccccc3)cc2C#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
XDH P47989 7/20 0.41
SCN9A Q15858 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TSHR P16473 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
POLB P06746 1/20 0.39
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38

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
SCHEMBL3579469 0.89 XDH (0.41) XDHSCN9APPARA
SCHEMBL3578608 0.81 XDH (0.52) XDHL3MBTL1TSHRCASP3RAB9A
SCHEMBL3589529 0.80 XDH (0.51) XDH
SCHEMBL3590470 0.80 KDM4E (0.44) XDHL3MBTL1
SCHEMBL3598978 0.79 XDH (0.43) XDH
SCHEMBL3585725 0.77 XDH (0.47) XDHL3MBTL1RAB9AS1PR1S1PR3
SCHEMBL3588238 0.77 KDM4E (0.41) XDHL3MBTL1S1PR1
SCHEMBL3581418 0.77 XDH (0.53) XDH
SCHEMBL3579532 0.77 KDM4E (0.41) L3MBTL1S1PR1
SCHEMBL3587009 0.76 KDM4E (0.46) XDHRAB9APOLBS1PR1

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 XDH 1/4885SCN9A 2809/4885L3MBTL1 744/4885

“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.