SCHEMBL3587301

SCHEMBL3587301

CC(C)(C)c1ccc(CCOS(C)(=O)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MITF O75030 1/20 0.53
GRIA4 P48058 1/20 0.47
CA1 P00915 7/20 0.43
CA2 P00918 7/20 0.43
KCNH2 Q12809 1/20 0.42
CA9 Q16790 2/20 0.41
PTGES2 Q9H7Z7 1/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EPHX2 P34913 1/20 0.40
NR1H4 Q96RI1 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
SCHEMBL3258334 0.87 CA2 (0.50) MITFCA1CA2KCNH2CA9
SCHEMBL30363658 0.84 MITF (0.51) MITFGRIA4CA1CA2KCNH2
SCHEMBL1170170 0.84 KMT2A (0.51) CA1CA2
SCHEMBL29003484 0.83 MITF (0.50) MITFGRIA4CA1CA2KCNH2
SCHEMBL19972561 0.82 RORC (0.41) MITFGRIA4CA1CA2CA9
SCHEMBL992252 0.82 HRH3 (0.41) MITFCA1CA2CA9
SCHEMBL3662277 0.80 BRS3 (0.48) MITFGRIA4CA1CA2EPHX2
SCHEMBL6991225 0.79 CA1 (0.48) CA1CA2KCNH2CA9ALDH1A1
SCHEMBL17891745 0.79 CA2 (0.44) CA1CA2CA9ALDH1A1LMNA
SCHEMBL13527822 0.79 CA2 (0.50) CA1CA2CA9ALDH1A1LMNA

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 MITF 1841/4885GRIA4 3977/4885CA1 4743/4885

“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.