SCHEMBL370174

SCHEMBL370174

CC(C)Oc1ncc(O)cn1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.37
ACACA Q13085 1/20 0.36
RXRA P19793 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP3A5 P20815 1/20 0.33
ESR1 P03372 3/20 0.32
ESR2 Q92731 3/20 0.32
PTGS1 P23219 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90B1 P14625 1/20 0.31
FTO Q9C0B1 1/20 0.31
DEGS1 O15121 2/20 0.30
NISCH Q9Y2I1 1/20 0.30
LRRK2 Q5S007 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL17562259 0.78 APLNR (0.41) ACACBACACARXRAGRIN1GRIN2B
SCHEMBL18120362 0.76 ACACB (0.34) ACACBACACARXRAGRIN1GRIN2B
SCHEMBL736170 0.76 KDM4E (0.34) ACACBACACACYP3A4CYP3A5LRRK2
SCHEMBL25689662 0.76 ACACB (0.34) ACACBACACACYP3A4CYP3A5LRRK2
SCHEMBL25693138 0.76 ACACB (0.34) ACACBACACACYP3A4CYP3A5LRRK2
SCHEMBL12701869 0.76 CYP3A4 (0.35) ACACBACACARXRAGRIN1GRIN2B
SCHEMBL14530971 0.76 ACACB (0.34) ACACBACACACYP3A4CYP3A5LRRK2
SCHEMBL27681117 0.76 ACACB (0.40) ACACBACACARXRAGRIN1GRIN2B
SCHEMBL4605475 0.76 ACACB (0.35) ACACBACACACYP3A4CYP3A5
SCHEMBL27681115 0.74 ACACB (0.38) ACACBACACARXRAGRIN1GRIN2B

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9102621-B2 Acyl sulfonamide compounds PFIZER LIMITED (GB) 2015-08-11 US disclosed
US-9102621-B2 Acyl sulfonamide compounds PFIZER LIMITED (GB) 2015-08-11 US disclosed
US-9102621-B2 Acyl sulfonamide compounds PFIZER LIMITED (GB) 2015-08-11 US disclosed
EP-2593431-B1 N-SULFONYLBENZAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS PFIZER LTD (GB) 2014-11-19 EP disclosed
EP-2593431-B1 N-SULFONYLBENZAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS PFIZER LTD (GB) 2014-11-19 EP disclosed
EP-2593432-B1 N-SULFONYLBENZAMIDE DERIVATIVES USEFUL AS VOLTAGE GATED SODIUM CHANNEL INHIBITORS PFIZER LTD (GB) 2014-10-22 EP disclosed
EP-2593432-B1 N-SULFONYLBENZAMIDE DERIVATIVES USEFUL AS VOLTAGE GATED SODIUM CHANNEL INHIBITORS PFIZER LTD (GB) 2014-10-22 EP disclosed
US-8592629-B2 Sulfonamide derivatives as Nav 1.7 inhibitors PFIZER LIMITED (GB) 2013-11-26 US disclosed
EP-2593431-A2 CHEMICAL COMPOUNDS Pfizer Limited (GB) 2013-05-22 EP disclosed
EP-2593432-A1 N-SULFONYLBENZAMIDE DERIVATIVES USEFUL AS VOLTAGE GATED SODIUM CHANNEL INHIBITORS Pfizer Limited (GB) 2013-05-22 EP disclosed
US-20130109708-A1 Chemical Compounds PFIZER LIMITED (GB) 2013-05-02 US disclosed
US-20130109708-A1 Chemical Compounds PFIZER LIMITED (GB) 2013-05-02 US disclosed
WO-2012007861-A1 N-SULFONYLBENZAMIDE DERIVATIVES USEFUL AS VOLTAGE GATED SODIUM CHANNEL INHIBITORS PFIZER LIMITED (GB) 2012-01-19 WO disclosed
WO-2012007869-A2 CHEMICAL COMPOUNDS PFIZER LIMITED (GB) 2012-01-19 WO disclosed
WO-2012007869-A2 CHEMICAL COMPOUNDS PFIZER LIMITED (GB) 2012-01-19 WO disclosed
WO-2012007861-A1 N-SULFONYLBENZAMIDE DERIVATIVES USEFUL AS VOLTAGE GATED SODIUM CHANNEL INHIBITORS PFIZER LIMITED (GB) 2012-01-19 WO disclosed
US-20120010183-A1 Chemical Compounds PFIZER LIMITED (GB) 2012-01-12 US disclosed
US-20120010183-A1 Chemical Compounds PFIZER LIMITED (GB) 2012-01-12 US disclosed
US-20120010183-A1 Chemical Compounds PFIZER LIMITED (GB) 2012-01-12 US disclosed
EP-0004644-A2 Pyrimidin(5)yl-(thiono)(thiol)-phosphoric(phosphonic) acid esters or amides, process for their preparation and their use as insecticides and acaricides BAYER AG (DE) 1979-10-17 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 (2 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-20130109708-A1 Chemical Compounds SCN1A, SCN1B, SCN7A ACACB 4636/4885ACACA 4365/4885RXRA 1543/4885
US-20120010183-A1 Chemical Compounds SCN1A, SCN1B, SCN7A ACACB 4620/4885ACACA 4013/4885RXRA 1361/4885

“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.