SCHEMBL3626535

SCHEMBL3626535

O=S(=O)(c1ccc(Cl)cc1)N(CCCl)CCCl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.50
CA1 P00915 3/20 0.50
CA9 Q16790 3/20 0.50
CA2 P00918 2/20 0.50
CA3 P07451 2/20 0.50
CA4 P22748 2/20 0.50
CA6 P23280 2/20 0.50
CA5A P35218 2/20 0.50
CA7 P43166 2/20 0.50
CA13 Q8N1Q1 2/20 0.50
CA14 Q9ULX7 2/20 0.50
CA5B Q9Y2D0 2/20 0.50
ALDH1A1 P00352 2/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
CNR2 P34972 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TAS2R14 Q9NYV8 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45

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
SCHEMBL6676536 0.82 SMN1; SMN2 (0.68) CA12CA1CA9CA2CA3
SCHEMBL398044 0.82 CNR2 (0.57) CNR2SMN1; SMN2LMNAGLAGAA
SCHEMBL4076826 0.82 CA12 (0.57) CA12CA1CA9CA2CA4
SCHEMBL3619711 0.82 CNR2 (0.49) CA12CA1CA9CA2ALDH1A1
SCHEMBL8602183 0.79 CA12 (0.59) CA12CA1CA9CA2CA3
SCHEMBL8906501 0.79 NPC1 (0.45) CA12CA1CA9CA2ALDH1A1
SCHEMBL3615482 0.78 BMP1 (0.55) SMN1; SMN2TAS2R14CXCR3LMNANPC1
SCHEMBL810965 0.78 LMNA (0.70) CA12CA1CA9CA2CA3
SCHEMBL11796461 0.77 CA9 (0.53) CA12CA1CA9CA2CA3
SCHEMBL9310747 0.77 CNR2 (0.52) CA12CA9CA2CNR2SMN1; SMN2

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
EP-2167479-B1 PROCESS FOR PREPARATION OF SUBSTANTIALLY OPTICALLY PURE LEVOROTATORY AND DEXTROROTATORY ENANTIOMERS OF CETIRIZINE USING NOVEL INTERMEDIATES SYMED LABS LTD (IN) 2013-09-11 EP disclosed
US-8084606-B2 Process for preparation of substantially optically pure levorotatory and dextrorotatory enantiomers of cetirizine using novel intermediates SYMED LABS LIMITED (IN) 2011-12-27 US disclosed
EP-2167479-A1 PROCESS FOR PREPARATION OF SUBSTANTIALLY OPTICALLY PURE LEVOROTATORY AND DEXTROROTATORY ENANTIOMERS OF CETIRIZINE USING NOVEL INTERMEDIATES Symed Labs Limited (IN) 2010-03-31 EP disclosed
US-20090281318-A1 PROCESS FOR PREPARATION OF SUBSTANTIALLY OPTICALLY PURE LEVOROTATORY AND DEXTROROTATORY ENANTIOMERS OF CETIRIZINE USING NOVEL INTERMEDIATES SYMED LABS LIMITED (IN) 2009-11-12 US disclosed
WO-2008152650-A1 PROCESS FOR PREPARATION OF SUBSTANTIALLY OPTICALLY PURE LEVOROTATORY AND DEXTROROTATORY ENANTIOMERS OF CETIRIZINE USING NOVEL INTERMEDIATES SYMED LABS LIMITED (IN) 2008-12-18 WO 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-20090281318-A1 PROCESS FOR PREPARATION OF SUBSTANTIALLY OPTICALLY PURE LEVOROTATORY AND DEXTROROTATORY ENANTIOMERS OF CETIRIZINE USING NOVEL INTERMEDIATES CYP3A5, TPH1, CYP51A1 CA12 1392/4885CA1 1009/4885CA9 2082/4885

“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.