SCHEMBL26579752

SCHEMBL26579752

COc1cc(C(=O)O)cc2oc(C)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA4 P22748 2/20 0.49
CA6 P23280 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49
CA3 P07451 1/20 0.49
PKM P14618 1/20 0.49
CA5A P35218 1/20 0.49
CA5B Q9Y2D0 1/20 0.49
PTGS2 P35354 1/20 0.46
CNR2 P34972 1/20 0.45
TPMT P51580 3/20 0.44
POLB P06746 2/20 0.42
HSD17B10 Q99714 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTT P42858 3/20 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
SCHEMBL26579803 0.82 KMT2A (0.40) CA12CA1CA2CA4CA6
SCHEMBL1554306 0.81 CA12 (0.45) CA12CA1CA2CA4CA6
SCHEMBL23883094 0.79 CA12 (0.43) CA12CA1CA2CA4CA6
SCHEMBL7693296 0.78 TTR (0.43) TPMTGPR35TSHRTTR
SCHEMBL20031232 0.78 RARA (0.38) CA12CA1CA2CA4CA6
SCHEMBL1144545 0.76 CA12 (0.49) CA12CA1CA2CA4CA6
SCHEMBL22672668 0.75 PTGES (0.40) TPMTTSHRALDH1A1TTR
SCHEMBL25196154 0.74 NQO2 (0.49) CNR2POLBALDH1A1KDM4ERAB9A
SCHEMBL31600414 0.74 MAPT (0.34) HSD17B10HTTTSHRALDH1A1KDM4E
SCHEMBL20837269 0.74 CA12 (0.50) CA12CA1CA2CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357258-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARMACEUTICALS, INC. 2023-11-09 US disclosed
US-20230357258-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARMACEUTICALS, INC. 2023-11-09 US disclosed
WO-2023196454-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARMACEUTICALS, INC. (US) 2023-10-12 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-20230357258-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ACE, HPRT1, ACE2 CA12 1966/4885CA1 3830/4885CA2 2420/4885

“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.