SCHEMBL20656178

SCHEMBL20656178

OCc1ccccc1-c1cc2sc(-c3ccccc3CO)cc2s1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
CYP2A6 P11509 2/20 0.38
APOBEC3G Q9HC16 1/20 0.38
BAZ2B Q9UIF8 2/20 0.37
BAZ2A Q9UIF9 2/20 0.37
BRD4 O60885 1/20 0.37
BRD9 Q9H8M2 1/20 0.37
HIF1A Q16665 1/20 0.37
EPAS1 Q99814 1/20 0.37
PDK2 Q15119 2/20 0.36
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36
KRAS P01116 1/20 0.33
SOS1 Q07889 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
LTA4H P09960 1/20 0.33
DPP4 P27487 1/20 0.32
EGFR P00533 1/20 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
SCHEMBL20656011 0.86 GPR35 (0.38) PDCD1CD274CYP2A6APOBEC3GBAZ2B
SCHEMBL477484 0.85 CYP2A6 (0.53) CYP2A6IKBKB
SCHEMBL7037023 0.78 PDCD1 (0.43) PDCD1CD274APOBEC3GBAZ2BBAZ2A
SCHEMBL1221964 0.75 PDCD1 (0.54) PDCD1CD274CYP2A6APOBEC3GBAZ2B
SCHEMBL24801870 0.73 PDCD1 (0.46) PDCD1CD274BAZ2BBAZ2ABRD4
SCHEMBL477614 0.72 LTA4H (0.61) PDCD1CD274CYP2A6APOBEC3GBAZ2B
SCHEMBL25094675 0.71 PDCD1 (0.40) PDCD1CD274APOBEC3GBAZ2BBAZ2A
SCHEMBL5723315 0.71 PDCD1 (0.43) PDCD1CD274CYP2A6BAZ2BBAZ2A
SCHEMBL25078757 0.71 HIF1A (0.45) PDCD1CD274CYP2A6BAZ2BBAZ2A
SCHEMBL4873098 0.71 ALDH1A1 (0.41) PDCD1CD274APOBEC3GHIF1AEPAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200165266-A1 RING CLOSURE REACTION FLEXENABLE LIMITED (GB) 2020-05-28 US disclosed
WO-2019011826-A1 RING CLOSURE REACTION MERCK PATENT GMBH (DE) 2019-01-17 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 (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-20200165266-A1 RING CLOSURE REACTION LIG4, ATG7, RNF4 PDCD1 1599/4885CD274 2198/4885CYP2A6 553/4885

“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.