SCHEMBL3979699

SCHEMBL3979699

O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCO[C@](CCOS(=O)(=O)c2ccccc2)(c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 3/20 0.42
USP2 O75604 7/20 0.42
CYP3A4 P08684 6/20 0.41
TSHR P16473 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
HSD17B10 Q99714 1/20 0.40
CYP2C9 P11712 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
SCHEMBL3979698 1.00 TACR2 (0.42) TACR2USP2CYP3A4TSHRCYP1A2
SCHEMBL3979429 0.93 RHOC (0.39) TACR2USP2CYP3A4TSHRCYP1A2
SCHEMBL3979427 0.93 RHOC (0.39) TACR2USP2CYP3A4TSHRCYP1A2
SCHEMBL3985800 0.92 TACR2 (0.36) TACR2USP2CYP3A4TSHRCYP1A2
SCHEMBL3985802 0.92 TACR2 (0.36) TACR2USP2CYP3A4TSHRCYP1A2
SCHEMBL5106738 0.91 TACR2 (0.38) TACR2USP2CYP3A4TSHRCYP1A2
SCHEMBL4870849 0.91 TACR2 (0.38) TACR2USP2CYP3A4TSHRCYP1A2
SCHEMBL3980108 0.90 ALDH1A1 (0.37) TACR2USP2CYP3A4TSHRCYP1A2
SCHEMBL3984404 0.90 ALDH1A1 (0.37) TACR2USP2CYP3A4TSHRCYP1A2
SCHEMBL3987362 0.90 CNR1 (0.39) TACR2USP2TSHR

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 3/4885USP2 4155/4885CYP3A4 735/4885

“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.