SCHEMBL680646

SCHEMBL680646

CCOC(=O)c1cc(Cl)c(Oc2ccc(Cl)cc2OC(F)F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 4/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
SCN9A Q15858 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
P2RX3 P56373 3/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL363464 0.84 MRGPRX4 (0.48) KMT2AMAPTMEN1GAAL3MBTL1
SCHEMBL16324892 0.81 HSD17B10 (0.40) HSD17B10KMT2AMAPTMEN1GAA
SCHEMBL680059 0.79 SCN9A (0.56) SCN9A
SCHEMBL19971601 0.74 MAPK1 (0.52) HSD17B10KMT2AMAPTMEN1NPSR1
SCHEMBL7992264 0.73 MAPK1 (0.51) KMT2AKDM4EMAPK1CYP4F2CYP4A11
SCHEMBL16069085 0.72 TTR (0.46) KMT2AMAPTMEN1L3MBTL1SMN1; SMN2
SCHEMBL30998146 0.72 CYP4F2 (0.50) MAPTL3MBTL1SMN1; SMN2LMNACYP4F2
SCHEMBL2478958 0.72 TSHR (0.44) KMT2AMAPTKDM4EMAPK1CYP4F2
SCHEMBL16319602 0.72 SCN9A (0.44) KMT2AMAPTMEN1SCN9ALMNA
SCHEMBL16618406 0.71 TSHR (0.41) HSD17B10KMT2AMAPTMEN1GAA

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
EP-2593427-B1 SULFONAMIDE DERIVATIVES AS NAV1.7 INHIBITORS FOR THE TREATMENT OF PAIN PFIZER LTD (GB) 2014-12-24 EP disclosed
US-20120010207-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-20120010207-A1 Chemical Compounds SCN1A, SCN1B, SCN7A HSD17B10 2861/4885KMT2A 2539/4885MAPT 3240/4885

“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.