SCHEMBL24985121

SCHEMBL24985121

C[C@]1(C(=O)O)COc2c1cc([C@@](O)(CNC(=O)c1cc(OC3CC3)c3ncccc3c1)C(F)(F)F)nc2-c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.34
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32
POLB P06746 1/20 0.31
GABRA5 P31644 1/20 0.30
GPR6 P46095 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
SCHEMBL24985122 1.00 AR (0.34) ARMAPK13MAPK12MAPK11MAPK14
SCHEMBL23905260 0.94 AR (0.33) ARMAPK13MAPK12MAPK11MAPK14
SCHEMBL24984629 0.94 AR (0.33) ARMAPK13MAPK12MAPK11MAPK14
SCHEMBL24984625 0.94 AR (0.33) ARMAPK13MAPK12MAPK11MAPK14
SCHEMBL23905274 0.94 AR (0.33) ARPOLB
SCHEMBL23905427 0.94 GABRA5 (0.33) ARGABRA5
SCHEMBL24987535 0.94 AR (0.33) ARPOLB
SCHEMBL24985152 0.93 CFTR (0.33) ARPOLB
SCHEMBL24986395 0.93 AR (0.32) ARPOLB
SCHEMBL24985158 0.93 CFTR (0.33) ARPOLB

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-20230125803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARM INC (US) 2023-04-27 US disclosed
US-11572367-B2 Antiviral heterocyclic compounds ENANTA PHARMACEUTICALS, INC. (US) 2023-02-07 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 (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-11572367-B2 Antiviral heterocyclic compounds ACE, HPRT1, ACE2 AR 4719/4885MAPK13 2376/4885MAPK12 1766/4885
US-20230125803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ACE, HPRT1, ACE2 AR 4719/4885MAPK13 2376/4885MAPK12 1766/4885

“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.