SCHEMBL23905504

SCHEMBL23905504

COc1cc(C(=O)O)cc2sc(C3CC3)nc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 9/20 0.52
UBE2M P61081 2/20 0.45
DCUN1D1 Q96GG9 2/20 0.45
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA4 P22748 2/20 0.43
CA6 P23280 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
CA3 P07451 1/20 0.43
PKM P14618 1/20 0.43
CA5A P35218 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
PTGS2 P35354 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TP53 P04637 1/20 0.41
KMT2A Q03164 1/20 0.40

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
SCHEMBL23904810 0.88 UBE2M (0.44) NR1H4UBE2MDCUN1D1PKMNPSR1
SCHEMBL21328395 0.81 UBE2M (0.41) NR1H4UBE2MDCUN1D1NPSR1RXFP1
SCHEMBL23195620 0.79 CA12 (0.49) NR1H4CA12CA1CA2CA4
SCHEMBL5069175 0.79 RAB9A (0.49) CA12CA1CA2CA4CA6
SCHEMBL23905239 0.79 ROCK2 (0.40) NR1H4UBE2MDCUN1D1NPSR1RXFP1
SCHEMBL19899948 0.79 CA12 (0.49) NR1H4CA12CA1CA2CA4
SCHEMBL20554137 0.78 CYP3A4 (0.51) NR1H4CA12CA1CA2CA4
SCHEMBL20554083 0.78 ALDH1A1 (0.51) NR1H4CA12CA1CA2CA4
SCHEMBL5068352 0.77 SMN1; SMN2 (0.55) CA12CA1CA2CA4CA6
SCHEMBL22672569 0.76 CA12 (0.45) NR1H4CA12CA1CA2CA4

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
WO-2023200441-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARMACEUTICALS, INC. (US) 2023-10-19 WO disclosed
US-20230108803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARMACEUTICALS, INC. 2023-04-06 US disclosed
WO-2021198981-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF Janssen Biopharma, Inc. (US) 2021-10-07 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-20230108803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ACE, HPRT1, ACE2 NR1H4 1354/4885UBE2M 2169/4885DCUN1D1 4217/4885

“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.