SCHEMBL365394

SCHEMBL365394

C[C@@H](Oc1ncc(O)cc1Cl)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
S1PR5 Q9H228 1/20 0.41
MAPK1 P28482 2/20 0.39
RORC P51449 2/20 0.38
RAB9A P51151 1/20 0.38
SCN9A Q15858 7/20 0.36
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
APEX1 P27695 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PTGS2 P35354 1/20 0.32

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
SCHEMBL364997 1.00 S1PR1 (0.41) S1PR1S1PR3S1PR5MAPK1RORC
SCHEMBL10198424 1.00 S1PR1 (0.41) S1PR1S1PR3S1PR5MAPK1RORC
SCHEMBL16240182 0.84 SCN9A (0.45) MAPK1RORCRAB9ASCN9ASMN1; SMN2
SCHEMBL10251355 0.83 S1PR1 (0.41) S1PR1S1PR3S1PR5RORCSCN9A
SCHEMBL10252275 0.83 S1PR1 (0.41) S1PR1S1PR3S1PR5RORCSCN9A
SCHEMBL364199 0.82 SCN9A (0.41) S1PR1S1PR3S1PR5MAPK1RORC
SCHEMBL369957 0.81 SCN9A (0.48) S1PR1S1PR3S1PR5MAPK1RAB9A
SCHEMBL10088979 0.81 S1PR1 (0.43) S1PR1S1PR3S1PR5RORCLMNA
SCHEMBL369956 0.81 SCN9A (0.48) S1PR1S1PR3S1PR5MAPK1RAB9A
SCHEMBL10198321 0.79 MAPK1 (0.38) S1PR1MAPK1RORCRAB9ASCN9A

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 8 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

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 S1PR1 406/4885S1PR3 631/4885S1PR5 491/4885

“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.