SCHEMBL3980418

SCHEMBL3980418

O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCC(CCOS(=O)(=O)c2ccccc2)(c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 10/20 0.50
TACR1 P25103 9/20 0.50
TACR3 P29371 7/20 0.50
CYP3A4 P08684 7/20 0.50
USP2 O75604 6/20 0.50
CYP2D6 P10635 3/20 0.50
CYP1A2 P05177 3/20 0.50
TSHR P16473 2/20 0.50
CYP2C19 P33261 2/20 0.49
CYP2C9 P11712 1/20 0.49
CCR5 P51681 2/20 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
SCHEMBL3978174 0.93 TACR2 (0.44) TACR2TACR1TACR3CYP3A4USP2
SCHEMBL3981791 0.92 TACR2 (0.45) TACR2TACR1TACR3CYP3A4USP2
SCHEMBL3981986 0.90 TACR3 (0.42) TACR2TACR1TACR3CYP3A4USP2
SCHEMBL3979446 0.89 TACR1 (0.44) TACR2TACR1TACR3CYP3A4CYP2D6
SCHEMBL3980118 0.88 TACR2 (0.43) TACR2TACR1TACR3CYP3A4USP2
SCHEMBL24855520 0.86 TACR2 (0.61) TACR2TACR1TACR3CYP3A4CYP2D6
SCHEMBL31224112 0.86 TACR2 (0.61) TACR2TACR1TACR3CYP3A4CYP2D6
SCHEMBL7380394 0.86 TACR2 (0.61) TACR2TACR1TACR3CYP3A4CYP2D6
SCHEMBL3981423 0.86 TACR2 (0.59) TACR2TACR1TACR3
SCHEMBL3979699 0.83 TACR2 (0.42) TACR2CYP3A4USP2CYP2D6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TACR2 3/4885TACR1 1/4885TACR3 42/4885

“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.