SCHEMBL16353530

SCHEMBL16353530

O=S(=O)(Cl)ON1CCCc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
NOTUM Q6P988 1/20 0.44
TSHR P16473 1/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
SIGMAR1 Q99720 1/20 0.42
ATM Q13315 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41

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
SCHEMBL4983966 0.84 NOTUM (0.47) SMN1; SMN2NOTUMTSHRKMT2AMEN1
SCHEMBL29092593 0.77 SMN1; SMN2 (0.52) SMN1; SMN2NOTUMTSHRKMT2AMEN1
SCHEMBL30866830 0.76 TSHR (0.59) SMN1; SMN2TSHRKMT2AMEN1LMNA
SCHEMBL27754978 0.76 MEN1 (0.47) SMN1; SMN2NOTUMTSHRKMT2AMEN1
SCHEMBL5261945 0.76 TSHR (0.59) SMN1; SMN2TSHRKMT2AMEN1LMNA
SCHEMBL8861369 0.75 SMN1; SMN2 (0.50) SMN1; SMN2NOTUMTSHRKMT2AMEN1
SCHEMBL5263502 0.74 SMN1; SMN2 (0.46) SMN1; SMN2NOTUMTSHRKMT2AMEN1
SCHEMBL28965840 0.74 TSHR (0.50) SMN1; SMN2NOTUMTSHRKMT2AMEN1
SCHEMBL27559695 0.74 SMN1; SMN2 (0.49) SMN1; SMN2NOTUMTSHRKMT2AMEN1
SCHEMBL6769554 0.73 MEN1 (0.46) NOTUMTSHRKMT2AMEN1LMNA

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
EP-3019623-B1 BIOCATALYZED SYNTHESIS OF THE OPTICALLY PURE (R) AND (S) 3-METHYL-1,2,3,4-TETRAHYDROQUINOLINE AND THEIR USE AS CHIRAL SYNTHONS FOR THE PREPARATION OF THE ANTITHROMBOTIC (21R)- AND (21S)-ARGATROBAN EUTICALS SPA (IT) 2018-11-28 EP disclosed
US-9630923-B2 Biocatalyzed synthesis of the optically pure (R) and (S) 3-methyl-1,2,3,4-tetrahydroquinoline and their use as chiral synthons for the preparation of the antithrombic (21R)- and (21S)-argatroban EUTICALS SPA (IT) 2017-04-25 US disclosed
EP-3019623-A1 BIOCATALYZED SYNTHESIS OF THE OPTICALLY PURE (R) AND (S) 3-METHYL-1,2,3,4-TETRAHYDROQUINOLINE AND THEIR USE AS CHIRAL SYNTHONS FOR THE PREPARATION OF THE ANTITHROMBOTIC (21R)- AND (21S)-ARGATROBAN Euticals S.P.A. (IT) 2016-05-18 EP disclosed
US-20160122303-A1 Biocatalyzed synthesis of the optically pure (R) and (S) 3-methyl-1,2,3,4-tetrahydroquinoline and their use as chiral synthons for the preparation of the antithrombic (21R)- and (21S)-argatroban AMRI ITALY S.R.L. (IT) 2016-05-05 US disclosed
WO-2015004015-A1 BIOCATALYZED SYNTHESIS OF THE OPTICALLY PURE (R) AND (S) 3-METHYL-1,2,3,4-TETRAHYDROQUINOLINE AND THEIR USE AS CHIRAL SYNTHONS FOR THE PREPARATION OF THE ANTITHROMBOTIC (21R)- AND (21S)-ARGATROBAN EUTICALS SPA (IT) 2015-01-15 WO disclosed
EP-2824187-A1 Biocatalyzed synthesis of the optically pure (R) and (S) 3-methyl-1,2,3,4-tetrahydroquinoline and their use as chiral synthons for the preparation of the antithrombotic (21R)- and (21S)-argatroban Euticals S.P.A. (IT) 2015-01-14 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-20160122303-A1 Biocatalyzed synthesis of the optically pure (R) and (S) 3-methyl-1,2,3,4-tetrahydroquinoline and their use as chiral synthons for the preparation of the antithrombic (21R)- and (21S)-argatroban CYP2S1, PRMT3, ARGLU1 SMN1; SMN2 3199/4885NOTUM 2291/4885TSHR 1303/4885

“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.