SCHEMBL21241853

SCHEMBL21241853

O=C(O)c1cccc(SC2CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.61
HSD17B10 Q99714 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2C9 P11712 1/20 0.61
GRIK1 P39086 1/20 0.60
GRIA2 P42262 1/20 0.60
DDB1 Q16531 1/20 0.57
CRBN Q96SW2 1/20 0.57
APEX1 P27695 2/20 0.53
KMO O15229 2/20 0.47
OPRM1 P35372 1/20 0.47
OPRK1 P41145 1/20 0.47
KCNH2 Q12809 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA6 P23280 1/20 0.46
CA9 Q16790 1/20 0.46
FOLH1 Q04609 2/20 0.42
UNG P13051 1/20 0.42

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
SCHEMBL30288407 1.00 HPGD (0.61) HPGDHSD17B10CYP1A2CYP2C9GRIK1
SCHEMBL2568668 0.93 HPGD (0.58) HPGDHSD17B10CYP1A2CYP2C9GRIK1
SCHEMBL6484438 0.92 HPGD (0.56) HPGDHSD17B10CYP1A2CYP2C9GRIK1
SCHEMBL5634975 0.81 OPRK1 (0.56) HPGDHSD17B10CYP1A2CYP2C9GRIK1
SCHEMBL14573365 0.81 OPRK1 (0.56) HPGDHSD17B10CYP1A2CYP2C9GRIK1
SCHEMBL5317296 0.79 ATM (0.50) HPGDHSD17B10CYP1A2CYP2C9GRIK1
SCHEMBL2792773 0.78 ALDH1A1 (0.49) CYP1A2CYP2C9GRIK1GRIA2OPRM1
SCHEMBL28188078 0.78 OPRM1 (0.56) HPGDHSD17B10CYP1A2CYP2C9GRIK1
SCHEMBL20825907 0.78 HPGD (0.55) HPGDMEN1ALDH1A1GAAKMT2A
SCHEMBL20790978 0.78 CYP1A2 (0.47) HPGDHSD17B10CYP1A2CYP2C9GRIK1

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-20250320204-A1 7-AZA BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC (US) 2025-10-16 US disclosed
US-11780849-B2 Imino sulfanone inhibitors of ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
CN-115996912-A Iminothiolanone inhibitors of ENPP1 沃拉斯查疗法公司 2023-04-21 CN disclosed
WO-2021225969-A1 IMINO SULFANONE INHIBITORS OF ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2021-11-11 WO disclosed
WO-2021069927-A1 PROSTAGLANDIN EP4 RECEPTOR ANTAGONIST COMPOUNDS HEPTARES THERAPEUTICS LIMITED (GB) 2021-04-15 WO disclosed
WO-2019152437-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2019-08-08 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-11780849-B2 Imino sulfanone inhibitors of ENPP1 ENPP1, ENPP3, SMPD1 HPGD 308/4885HSD17B10 1223/4885CYP1A2 2884/4885
US-20250320204-A1 7-AZA BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS ENPP1, ENPP3, PDE7A HPGD 349/4885HSD17B10 1416/4885CYP1A2 563/4885

“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.