SCHEMBL3984404

SCHEMBL3984404

O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCO[C@](CCOS(=O)(=O)c2ccc([N+](=O)[O-])cc2)(c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
FAAH O00519 3/20 0.35
TACR2 P21452 2/20 0.35
RHOA P61586 1/20 0.34
USP2 O75604 3/20 0.34
ATM Q13315 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33

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
SCHEMBL3980108 1.00 ALDH1A1 (0.37) ALDH1A1MAPTFAAHTACR2RHOA
SCHEMBL3979427 0.91 RHOC (0.39) TACR2RHOAUSP2CYP1A2CYP3A4
SCHEMBL3979429 0.91 RHOC (0.39) TACR2RHOAUSP2CYP1A2CYP3A4
SCHEMBL3983680 0.90 CNR1 (0.36) ALDH1A1MAPTFAAH
SCHEMBL3983655 0.90 CNR1 (0.36) ALDH1A1MAPTFAAH
SCHEMBL3985800 0.90 TACR2 (0.36) ALDH1A1MAPTTACR2USP2CYP1A2
SCHEMBL3985802 0.90 TACR2 (0.36) ALDH1A1MAPTTACR2USP2CYP1A2
SCHEMBL3979699 0.90 TACR2 (0.42) TACR2USP2CYP1A2CYP3A4CYP2D6
SCHEMBL3979698 0.90 TACR2 (0.42) TACR2USP2CYP1A2CYP3A4CYP2D6
SCHEMBL3984648 0.90 HPGD (0.36) ALDH1A1TACR2USP2CYP1A2CYP3A4

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 ALDH1A1 1383/4885MAPT 4429/4885FAAH 826/4885

“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.