SCHEMBL24345713

SCHEMBL24345713

COc1cc(C(=O)NC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@H]3C(F)(F)F)C2CC2)cc2scnc12

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.31
MAPT P10636 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
GAA P10253 1/20 0.31
GABRA5 P31644 3/20 0.30
F2RL3 Q96RI0 1/20 0.30

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
SCHEMBL24345303 0.92 MAPT (0.31) CFTRMAPTALDH1A1HPGDMAPK1
SCHEMBL23717101 0.90 CFTR (0.34) CFTR
SCHEMBL23717324 0.88 CFTR (0.31) CFTRMAPTGABRA5
SCHEMBL23717045 0.88 POLB (0.37) CFTRALDH1A1HPGDGABRA5
SCHEMBL23685145 0.87 CFTR (0.32) CFTRGABRA5
SCHEMBL23717303 0.84 CFTR (0.31) CFTRMAPTALDH1A1HPGDMAPK1
SCHEMBL23717296 0.84 CFTR (0.31) CFTRMAPTALDH1A1HPGDMAPK1
SCHEMBL24346367 0.83 CFTR (0.33) CFTRMAPTALDH1A1HPGDMAPK1
SCHEMBL23683788 0.82 CFTR (0.33) CFTR
SCHEMBL23717262 0.81 NAMPT (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220119398-A1 HETEROCYCLIC COMPOUNDS AS ANTI-VIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2022-04-21 US 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-20220119398-A1 HETEROCYCLIC COMPOUNDS AS ANTI-VIRAL AGENTS VIP, ACE, FURIN CFTR 307/4885MAPT 4216/4885ALDH1A1 1686/4885

“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.