SCHEMBL4386461

SCHEMBL4386461

FS(F)(F)(F)(F)c1ccc(Nc2cc(-c3ccc(Cl)cc3)ncn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 2/20 0.51
CLK4 Q9HAZ1 2/20 0.51
TP53 P04637 2/20 0.51
MEN1 O00255 1/20 0.51
USP2 O75604 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GLA P06280 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
ALOX15 P16050 1/20 0.51
MAPK1 P28482 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ABL1 P00519 6/20 0.50
BCR P11274 6/20 0.50
EGFR P00533 3/20 0.46
ERBB3 P21860 2/20 0.46
SCN9A Q15858 1/20 0.46

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
SCHEMBL1016320 0.81 ABL1 (0.76) CYP1A2CYP2C9CLK4TP53MEN1
SCHEMBL5752589 0.78 TRPV1 (0.63) CYP1A2CYP2C9CLK4TP53MEN1
SCHEMBL20816288 0.71 FAAH (0.51) CYP1A2CYP2C9CLK4TP53MEN1
SCHEMBL4844440 0.71 FAAH (0.51) CYP1A2CYP2C9CLK4TP53MEN1
SCHEMBL30782558 0.71 ABL1 (0.68) CYP1A2CYP2C9CLK4TP53MEN1
SCHEMBL2283204 0.71 NPC1 (0.68) MEN1KMT2AEGFRERBB3SCN9A
SCHEMBL4665672 0.70 CYP1A2 (0.69) CYP1A2CYP2C9CLK4TP53MEN1
SCHEMBL27468144 0.70 EGFR (0.61) CYP1A2CYP2C9CLK4TP53MEN1
SCHEMBL20137308 0.70 KMO (0.63) FAAH
SCHEMBL2305280 0.70 TP53 (0.74) CYP1A2CYP2C9CLK4TP53MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1891004-B1 PENTAFLUOROSULPHANYL-SUBSTITUTED COMPOUND AND ITS USE FOR PRODUCING MEDICAMENTS GRUENENTHAL GMBH (DE) 2009-12-02 EP claimed
US-7994167-B2 Pentafluorosulphanyl-substituted compound and its use for producing medicaments GRUENENTHAL GMBH (DE) 2011-08-09 US disclosed
US-20090137594-A1 Pentafluorosulphanyl-Substituted Compound And Its Use For Producing Medicaments GRUENENTHAL GMGH (DE) 2009-05-28 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-20090137594-A1 Pentafluorosulphanyl-Substituted Compound And Its Use For Producing Medicaments FIBP, PFAS, FPR3 CYP1A2 3740/4885CYP2C9 2662/4885CLK4 3280/4885

“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.