SCHEMBL4870849

SCHEMBL4870849

CS(=O)(=O)OCC[C@@]1(c2ccc(Cl)c(Cl)c2)CN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCO1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 6/20 0.38
USP2 O75604 5/20 0.38
CYP3A4 P08684 4/20 0.38
CYP1A2 P05177 3/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2C9 P11712 1/20 0.37
HIF1A Q16665 1/20 0.37
TACR1 P25103 3/20 0.36

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
SCHEMBL5106738 1.00 TACR2 (0.38) TACR2USP2CYP3A4CYP1A2CYP2D6
SCHEMBL3985800 0.91 TACR2 (0.36) TACR2USP2CYP3A4CYP1A2CYP2D6
SCHEMBL3985802 0.91 TACR2 (0.36) TACR2USP2CYP3A4CYP1A2CYP2D6
SCHEMBL3979699 0.91 TACR2 (0.42) TACR2USP2CYP3A4CYP1A2CYP2D6
SCHEMBL3979429 0.91 RHOC (0.39) TACR2USP2CYP3A4CYP1A2CYP2D6
SCHEMBL3979427 0.91 RHOC (0.39) TACR2USP2CYP3A4CYP1A2CYP2D6
SCHEMBL3979698 0.91 TACR2 (0.42) TACR2USP2CYP3A4CYP1A2CYP2D6
SCHEMBL4631148 0.90 TACR2 (0.46) TACR2USP2CYP3A4CYP1A2CYP2D6
SCHEMBL6662514 0.89 KMT2A (0.39) TACR2TACR1
SCHEMBL5106731 0.89 TACR2 (0.39) TACR2USP2CYP3A4CYP1A2CYP2D6

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-7396930-B2 making spiro(benzo(c)thiophene-1 (3H),4'-piperidine) derivatives; involves reacting a mercapto compound with a 2-halophenylalkyl halide, reacting with an alkyllithium, then N-ethoxycarbonyl-4-piperidone, dehydration and cyclization; industrial scale; novel intermediates to neurokinin receptor antagonist SANKYO COMPANY, LIMITED (JP) 2008-07-08 US disclosed
US-7365067-B2 Indanol derivative SANKYO COMPANY, LIMITED (JP) 2008-04-29 US disclosed
US-20070197570-A1 Indanol derivative SANKYO COMPANY, LIMITED (JP) 2007-08-23 US disclosed
EP-1746095-A1 INDANOL DERIVATIVE Sankyo Company, Limited (JP) 2007-01-24 EP disclosed
US-20050165037-A1 Process for producing cyclic thioether and synthetic intermediate thereof SANKYO COMPANY, LIMITED (JP) 2005-07-28 US disclosed
EP-1533314-A1 PROCESS FOR PRODUCING CYCLIC THIOETHER AND SYNTHETIC INTERMEDIATE THEREOF Sankyo Company, Limited (JP) 2005-05-25 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 (2 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-20050165037-A1 Process for producing cyclic thioether and synthetic intermediate thereof SULT1E1, TST, TMT1A TACR2 360/4885USP2 3612/4885CYP3A4 36/4885
US-20070197570-A1 Indanol derivative BDKRB2, BDKRB1, TACR2 TACR2 3/4885USP2 4432/4885CYP3A4 366/4885

“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.