SCHEMBL11948975

SCHEMBL11948975

O=C1C[C@H](OC2CCCCO2)C[C@@H](CSc2nc3ccccc3s2)O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.41
CYP2D6 P10635 3/20 0.41
ALDH1A1 P00352 9/20 0.39
RAB9A P51151 6/20 0.39
TP53 P04637 1/20 0.39
CTSK P43235 1/20 0.39
HSD17B10 Q99714 4/20 0.39
LMNA P02545 4/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 2/20 0.39
MAPK1 P28482 5/20 0.39
NPC1 O15118 5/20 0.39
TSHR P16473 3/20 0.39
ALOX15 P16050 2/20 0.39
GAA P10253 2/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 4/20 0.38
HPGD P15428 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38

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
SCHEMBL11949961 0.81 ALDH1A1 (0.37) CYP1A2ALDH1A1RAB9ATP53LMNA
SCHEMBL21826830 0.73 CYP1A2 (0.44) CYP1A2CYP2D6ALDH1A1RAB9ACTSK
SCHEMBL21885839 0.73 CYP1A2 (0.44) CYP1A2CYP2D6ALDH1A1RAB9ACTSK
SCHEMBL21826865 0.71 CYP1A2 (0.48) CYP1A2CYP2D6ALDH1A1RAB9AHSD17B10
SCHEMBL21826862 0.71 CYP1A2 (0.48) CYP1A2CYP2D6ALDH1A1RAB9AHSD17B10
SCHEMBL11410916 0.70 ALDH1A1 (0.37) ALDH1A1HSD17B10LMNAKDM4EMAPK1
SCHEMBL11948976 0.70 ALDH1A1 (0.37) ALDH1A1HSD17B10LMNAKDM4EMAPK1
SCHEMBL11323483 0.70 ALDH1A1 (0.37) ALDH1A1HSD17B10LMNAKDM4EMAPK1
SCHEMBL14534032 0.70 CYP1A2 (0.31) CYP1A2CYP2D6SMN1; SMN2CYP2C19
SCHEMBL11319709 0.70

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2665722-B1 PROCESS FOR THE PREPARATION OF DIOL SULFONES DSM SINOCHEM PHARM NL BV (NL) 2016-08-17 EP disclosed
US-9150562-B2 Process for the preparation of diol sulfones DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2015-10-06 US disclosed
US-9150562-B2 Process for the preparation of diol sulfones DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2015-10-06 US disclosed
EP-2665721-B1 METHYLTETRAZOLE SULFIDES AND SULFONES DSM SINOCHEM PHARM NL BV (NL) 2015-07-08 EP disclosed
US-8865900-B2 Methyltetrazole sulfides and sulfones DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2014-10-21 US disclosed
US-8865900-B2 Methyltetrazole sulfides and sulfones DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2014-10-21 US disclosed
US-20130303779-A1 PROCESS FOR THE PREPARATION OF DIOL SULFONES DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2013-11-14 US disclosed
US-20130303779-A1 PROCESS FOR THE PREPARATION OF DIOL SULFONES DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2013-11-14 US disclosed
US-20130296563-A1 METHYLTETRAZOLE SULFIDES AND SULFONES DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2013-11-07 US disclosed
US-20130296563-A1 METHYLTETRAZOLE SULFIDES AND SULFONES DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2013-11-07 US disclosed
WO-2012098048-A1 PROCESS FOR THE PREPARATION OF DIOL SULFONES DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2012-07-26 WO disclosed
WO-2012098050-A1 METHYLTETRAZOLE SULFIDES AND SULFONES DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2012-07-26 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-20130303779-A1 PROCESS FOR THE PREPARATION OF DIOL SULFONES STS, DHCR7, TST CYP1A2 85/4885CYP2D6 60/4885ALDH1A1 927/4885
US-20130296563-A1 METHYLTETRAZOLE SULFIDES AND SULFONES TST, STS, TPMT CYP1A2 119/4885CYP2D6 115/4885ALDH1A1 1545/4885

“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.