SCHEMBL19113136

SCHEMBL19113136

CCOP(=S)(S)OCCCOC(=O)c1cc(C#N)c(CC2CCC2)cc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.37
ALDH1A1 P00352 9/20 0.37
KMT2A Q03164 4/20 0.37
MAPT P10636 4/20 0.37
MEN1 O00255 3/20 0.37
HSD17B10 Q99714 3/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HPGD P15428 5/20 0.35
LMNA P02545 4/20 0.35
POLB P06746 2/20 0.35
P2RY12 Q9H244 1/20 0.34
L3MBTL1 Q9Y468 4/20 0.34
GAA P10253 2/20 0.34
TDP1 Q9NUW8 5/20 0.33
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
FASN P49327 1/20 0.32
HTR4 Q13639 2/20 0.32

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
SCHEMBL19559116 0.85 KDM4E (0.46) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL19559118 0.84 KDM4E (0.44) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL19114008 0.80 KDM4E (0.39) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL19559112 0.80 KDM4E (0.40) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL30410282 0.78 GAA (0.43) KDM4EALDH1A1KMT2AMAPTHSD17B10
SCHEMBL12488931 0.78 GAA (0.43) KDM4EALDH1A1KMT2AMAPTHSD17B10
SCHEMBL19559132 0.76 KDM4E (0.40) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL19559111 0.75 ESR1 (0.40) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL21318015 0.65 KDM4E (0.58) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL18432591 0.63 PDGFRB (0.43) KDM4EALDH1A1KMT2AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220296605-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS SAGIMET BIOSCIENCES INC. 2022-09-22 US disclosed
EP-3190108-B1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS SAGIMET BIOSCIENCES INC (US) 2021-05-19 EP disclosed
US-20190269694-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS SAGIMET BIOSCIENCES INC. 2019-09-05 US disclosed
EP-3190108-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V Biosciences, Inc. (US) 2017-07-12 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-20220296605-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FASN, FADS1, SCD KDM4E 1740/4885ALDH1A1 724/4885KMT2A 2400/4885
US-20190269694-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FASN, FADS1, SCD KDM4E 1740/4885ALDH1A1 724/4885KMT2A 2400/4885

“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.