SCHEMBL4766809

SCHEMBL4766809

CC(C)(C)c1ccc(C(=O)O)c(Oc2ccc(F)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.52
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SCN8A Q9UQD0 3/20 0.46
SCN10A Q9Y5Y9 3/20 0.46
XDH P47989 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
PTGER4 P35408 1/20 0.43

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
SCHEMBL15916898 0.87 KDM4E (0.58) KDM4EUSP2ALDH1A1HPGDCYP2C19
SCHEMBL543479 0.87 TDP1 (0.48) KDM4EUSP2ALDH1A1HPGDCYP2C19
SCHEMBL4450925 0.83 PTGER4 (0.49) DHODHKDM4ESCN8ASCN10AXDH
SCHEMBL3659250 0.81 SCN8A (0.49) DHODHKDM4EUSP2ALDH1A1HPGD
SCHEMBL29539667 0.79 NPSR1 (0.56) DHODHKDM4EALDH1A1HPGDHSD17B10
SCHEMBL294263 0.79 NPSR1 (0.56) DHODHKDM4EALDH1A1HPGDHSD17B10
SCHEMBL15561877 0.79 P4HTM (0.55)
SCHEMBL22888657 0.79 RAB9A (0.42) DHODHALDH1A1HPGDSCN8ASCN10A
SCHEMBL8628820 0.78 TDP1 (0.49) KDM4EUSP2ALDH1A1HPGDCYP2C19
SCHEMBL3721304 0.78 SCN10A (0.64) KDM4EUSP2ALDH1A1HPGDCYP2C19

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841483-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-23 US disclosed
US-8841483-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-23 US disclosed
US-8841483-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-23 US disclosed
EP-2004596-A2 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS Vertex Pharmaceuticals Incorporated (US) 2008-12-24 EP disclosed
WO-2007120647-A2 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-25 WO disclosed
WO-2007120647-A2 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-25 WO disclosed
US-20070238733-A1 Drugs for various disorders such as sodium channel modulators, cardiovascular disorders, antiarrhythmia agents ar nervous system disorders VERTEX PHARMACEUTICALS INCORPORATED 2007-10-11 US disclosed
US-20070238733-A1 Drugs for various disorders such as sodium channel modulators, cardiovascular disorders, antiarrhythmia agents ar nervous system disorders VERTEX PHARMACEUTICALS INCORPORATED 2007-10-11 US disclosed
US-20070238733-A1 Drugs for various disorders such as sodium channel modulators, cardiovascular disorders, antiarrhythmia agents ar nervous system disorders VERTEX PHARMACEUTICALS INCORPORATED 2007-10-11 US 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-20070238733-A1 Drugs for various disorders such as sodium channel modulators, cardiovascular disorders, antiarrhythmia agents ar nervous system disorders KCNH1, SCN5A, CACNA1A DHODH 1254/4885KDM4E 2015/4885USP2 4469/4885

“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.