SCHEMBL3979446

SCHEMBL3979446

O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCC(CCOS(=O)(=O)c2ccccc2)(c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.44
TACR2 P21452 3/20 0.44
CCR5 P51681 1/20 0.43
TACR3 P29371 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL3980158 0.94 EPHX2 (0.42) TACR1TACR2CCR5
SCHEMBL3983335 0.92 CCR5 (0.41) TACR1TACR2CCR5CYP3A4CYP2D6
SCHEMBL3981258 0.90 TACR2 (0.37) TACR1TACR2CCR5ALDH1A1
SCHEMBL9029048 0.89 TACR2 (0.42) TACR1TACR2CCR5TACR3CYP3A4
SCHEMBL9026960 0.89 TACR2 (0.42) TACR1TACR2CCR5TACR3CYP3A4
SCHEMBL3980418 0.89 TACR2 (0.50) TACR1TACR2CCR5TACR3CYP3A4
SCHEMBL3981253 0.88 TACR1 (0.39) TACR1TACR2CCR5
SCHEMBL9027646 0.87 TACR2 (0.42) TACR1TACR2CCR5TACR3
SCHEMBL9027505 0.87 TACR2 (0.42) TACR1TACR2CCR5TACR3
SCHEMBL3987361 0.84 CNR1 (0.39) TACR1TACR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1754701-A1 SULFONYLOXY DERIVATIVES Sankyo Company, Limited (JP) 2007-02-21 EP claimed
US-7560549-B2 Sulfonyloxy derivatives SANKYO COMPANY, LIMITED (JP) 2009-07-14 US disclosed
US-20070135434-A1 Sulfonyloxy derivatives SANKYO COMPANY, LIMITED (JP) 2007-06-14 US disclosed
EP-1754701-A1 SULFONYLOXY DERIVATIVES Sankyo Company, Limited (JP) 2007-02-21 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 (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-20070135434-A1 Sulfonyloxy derivatives TACR1, NPSR1, TACR2 TACR1 1/4885TACR2 3/4885CCR5 1713/4885

“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.