SCHEMBL3981986

SCHEMBL3981986

O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCC(CCOS(=O)(=O)c2ccc([N+](=O)[O-])cc2)(c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 6/20 0.42
TACR2 P21452 5/20 0.42
TACR1 P25103 5/20 0.42
CYP3A4 P08684 11/20 0.41
USP2 O75604 8/20 0.41
CYP1A2 P05177 6/20 0.41
CYP2D6 P10635 5/20 0.41
TSHR P16473 5/20 0.41
CYP2C19 P33261 4/20 0.41
CYP2C9 P11712 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
CCR5 P51681 1/20 0.39
RHOA P61586 1/20 0.38
HIF1A Q16665 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL3978174 0.91 TACR2 (0.44) TACR3TACR2TACR1CYP3A4USP2
SCHEMBL3981258 0.90 TACR2 (0.37) TACR2TACR1CCR5ALDH1A1
SCHEMBL3981791 0.90 TACR2 (0.45) TACR3TACR2TACR1CYP3A4USP2
SCHEMBL3980418 0.90 TACR2 (0.50) TACR3TACR2TACR1CYP3A4USP2
SCHEMBL3980118 0.89 TACR2 (0.43) TACR3TACR2TACR1CYP3A4USP2
SCHEMBL3978155 0.87 TACR2 (0.51) TACR3TACR2TACR1
SCHEMBL3980108 0.85 ALDH1A1 (0.37) TACR2CYP3A4USP2CYP1A2CYP2D6
SCHEMBL3984404 0.85 ALDH1A1 (0.37) TACR2CYP3A4USP2CYP1A2CYP2D6
SCHEMBL3980158 0.81 EPHX2 (0.42) TACR2TACR1CCR5
SCHEMBL3983335 0.80 CCR5 (0.41) TACR2TACR1CYP3A4USP2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7560549-B2 Sulfonyloxy derivatives SANKYO COMPANY, LIMITED (JP) 2009-07-14 US claimed
US-20070135434-A1 Sulfonyloxy derivatives SANKYO COMPANY, LIMITED (JP) 2007-06-14 US claimed
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 TACR3 42/4885TACR2 3/4885TACR1 1/4885

“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.