SCHEMBL4131552

SCHEMBL4131552

O=S(=O)(O)c1cc2ccccc2cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2D6 P10635 1/20 0.38
TTR P02766 1/20 0.38
FABP4 P15090 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
MAPK14 Q16539 1/20 0.38
MPL P40238 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
ATIC P31939 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CTRC Q99895 1/20 0.37
CYP2A6 P11509 1/20 0.37
NR4A1 P22736 1/20 0.37

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
SCHEMBL1744012 0.84 TSHR (0.46) TSHRSMN1; SMN2CYP2D6TTRFABP4
SCHEMBL5436129 0.81 CASP6 (0.49) TSHRALDH1A1CYP1A2CYP2C9ALOX15
SCHEMBL4565135 0.79 CA1 (0.39) TSHRALDH1A1CYP2C9ALOX15HSD17B10
SCHEMBL5545177 0.78 CA12 (0.31) CA1CA2
SCHEMBL1992615 0.77 CA1 (0.38) TSHRALDH1A1CYP2C9ALOX15HSD17B10
SCHEMBL5443614 0.77 CA1 (0.43) TSHRTTRALDH1A1ALOX15HSD17B10
SCHEMBL1989758 0.77 CA1 (0.38) TSHRALDH1A1CYP2C9ALOX15HSD17B10
SCHEMBL2956866 0.77 MPL (0.47) TSHRSMN1; SMN2CYP2D6MPLHIF1A
SCHEMBL31331373 0.77 MPL (0.47) TSHRSMN1; SMN2CYP2D6MPLHIF1A
SCHEMBL11022913 0.76 CYP2D6 (0.42) CYP2D6TTRMPLALDH1A1CYP1A2

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-8501967-B2 Process for the preparation of enantiomerically pure 1-substituted-3-aminoalcohols LONZA AG (CH) 2013-08-06 US disclosed
US-20120316350-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY PURE 1-SUBSTITUTED-3-AMINOALCOHOLS LONZA AG (CH) 2012-12-13 US disclosed
US-8258338-B2 Process for the preparation of enantiomerically pure 1-substituted-3-aminoalcohols LONZA AG (CH) 2012-09-04 US disclosed
US-20090156833-A1 Process for the Preparation of Enantiomerically Pure 1-Substituted-3-Aminoalcohols LONZA AG (CH) 2009-06-18 US disclosed
EP-1868983-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY PURE 1-SUBSTITUTED-3-AMINOALCOHOLS LONZA AG (CH) 2007-12-26 EP disclosed
WO-2006087166-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY PURE 1-SUBSTITUTED-3-AMINOALCOHOLS LONZA AG (CH) 2006-08-24 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 (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-20120316350-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY PURE 1-SUBSTITUTED-3-AMINOALCOHOLS CYP2S1, AKR1C3, AKR1B10 TSHR 3248/4885SMN1; SMN2 3496/4885CYP2D6 200/4885
US-20090156833-A1 Process for the Preparation of Enantiomerically Pure 1-Substituted-3-Aminoalcohols CYP2S1, AKR1C3, ADSL TSHR 2336/4885SMN1; SMN2 4440/4885CYP2D6 342/4885

“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.