SCHEMBL26333067

SCHEMBL26333067

CC(C)C(=O)O[C@H]1[C@H](c2ccc3c(N)ncnn23)O[C@](C#N)(COCN[C@@H](C)C(=O)OC2CCCCC2)[C@H]1OC(=O)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLRMT O00411 1/20 0.32
▸ USP2 O75604 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ APP P05067 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ SNCA P37840 1/20 0.30
▸ CSNK1A1 P48729 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ JAK2 O60674 1/20 0.30
▸ JAK1 P23458 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
SCHEMBL26334103 0.94 POLRMT (0.31) POLRMT
SCHEMBL26334092 0.94 POLRMT (0.31) POLRMT
SCHEMBL23819323 0.94 JAK2 (0.32) POLRMTJAK2JAK1
SCHEMBL26286785 0.94 POLRMT (0.33) POLRMTUSP2NPSR1
SCHEMBL26286808 0.93 POLRMT (0.36) POLRMT
SCHEMBL23818986 0.93 POLRMT (0.32) POLRMTUSP2ALDH1A1APPCYP3A4
SCHEMBL23819090 0.93 POLRMT (0.31) POLRMTUSP2ALDH1A1APPCYP3A4
SCHEMBL23819095 0.93 POLRMT (0.32) POLRMT
SCHEMBL23818894 0.92 POLRMT (0.34) POLRMT
SCHEMBL23819044 0.92 JAK2 (0.33) POLRMTJAK2JAK1

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-11767337-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2023-09-26 — — 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-11767337-B2 Antiviral compounds MAVS, HAVCR2, ZC3HAV1 POLRMT 535/4885USP2 4095/4885ALDH1A1 1459/4885

“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.

Send feedback