SCHEMBL364697

SCHEMBL364697

C[C@@H](Oc1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.47
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
S1PR5 Q9H228 1/20 0.36
ALPL P05186 1/20 0.33
PDGFRB P09619 2/20 0.33
KDR P35968 2/20 0.33
DGAT1 O75907 2/20 0.32
EGFR P00533 1/20 0.31
RORC P51449 1/20 0.30
FFAR1 O14842 1/20 0.30
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
MAP4K1 Q92918 2/20 0.30
LPL P06858 1/20 0.30
LIPG Q9Y5X9 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
SCHEMBL1690230 1.00 AAK1 (0.47) AAK1S1PR1S1PR3S1PR5ALPL
SCHEMBL10198423 1.00 AAK1 (0.47) AAK1S1PR1S1PR3S1PR5ALPL
SCHEMBL367669 0.89 AAK1 (0.43) AAK1ALPLPDGFRBKDRDGAT1
SCHEMBL20763332 0.89 AAK1 (0.48) AAK1S1PR1S1PR3S1PR5ALPL
SCHEMBL20190758 0.86 AAK1 (0.48) AAK1ALPLPDGFRBKDRDGAT1
SCHEMBL22026484 0.86 AAK1 (0.48) AAK1ALPLPDGFRBKDRDGAT1
SCHEMBL20746364 0.86 AAK1 (0.48) AAK1ALPLPDGFRBKDRDGAT1
SCHEMBL365161 0.85 AAK1 (0.44) AAK1S1PR1S1PR3S1PR5ALPL
SCHEMBL370605 0.84 AAK1 (0.43) AAK1S1PR1S1PR3S1PR5ALPL
SCHEMBL370604 0.84 AAK1 (0.43) AAK1S1PR1S1PR3S1PR5ALPL

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
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-2593432-A1 N-SULFONYLBENZAMIDE DERIVATIVES USEFUL AS VOLTAGE GATED SODIUM CHANNEL INHIBITORS Pfizer Limited (GB) 2013-05-22 EP disclosed
WO-2012007861-A1 N-SULFONYLBENZAMIDE DERIVATIVES USEFUL AS VOLTAGE GATED SODIUM CHANNEL INHIBITORS 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

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-20120010183-A1 Chemical Compounds SCN1A, SCN1B, SCN7A AAK1 1882/4885S1PR1 406/4885S1PR3 631/4885

“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.