SCHEMBL21420079

SCHEMBL21420079

CCOC(=O)Cn1nc(C(F)(F)F)c2c1C(=O)[C@@H]1[C@H](C)[C@H]21

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.38
▸ CYP2C19 P33261 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ TSHR P16473 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ TRPM2 O94759 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ PTGS2 P35354 1/20 0.34

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
SCHEMBL21420050 1.00 POLB (0.38) POLBCYP2C19CYP2C9MAPK1TSHR
SCHEMBL21420046 0.81 POLB (0.40) POLBCYP2C19CYP2C9MAPK1TSHR
SCHEMBL26251001 0.81 POLB (0.40) POLBCYP2C19CYP2C9MAPK1TSHR
SCHEMBL14487702 0.81 POLB (0.40) POLBCYP2C19CYP2C9MAPK1TSHR
SCHEMBL26437709 0.77 TRPM2 (0.40) POLBCYP2C19CYP2C9MAPK1TSHR
SCHEMBL21420082 0.75 MAPK1 (0.35) POLBCYP2C19CYP2C9MAPK1TSHR
SCHEMBL21420081 0.75 MAPK1 (0.35) POLBCYP2C19CYP2C9MAPK1TSHR
SCHEMBL20756450 0.75 TRPM2 (0.41) POLBCYP2C19CYP2C9MAPK1TSHR
SCHEMBL14555812 0.72 TRPM2 (0.44) POLBCYP2C19CYP2C9MAPK1TSHR
SCHEMBL24193643 0.71 TRPM2 (0.34) POLBCYP2C19CYP2C9MAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11117886-B2 Methods and intermediates for preparing therapeutic compounds GILEAD SCIENCES, INC. (US) 2021-09-14 — — US disclosed
US-20200369647-A1 METHODS AND INTERMEDIATES FOR PREPARING THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2020-11-26 — — US disclosed
US-10696657-B2 Methods and intermediates for preparing therapeutic compounds GILEAD SCIENCES, INC. (US) 2020-06-30 — — US disclosed
US-20190300505-A1 METHODS AND INTERMEDIATES FOR PREPARING THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2019-10-03 — — 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 (4 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-20190300505-A1 METHODS AND INTERMEDIATES FOR PREPARING THERAPEUTIC COMPOUNDS CYP11A1, CYP11B1, CYP11B2 POLB 361/4885CYP2C19 564/4885CYP2C9 223/4885
US-11117886-B2 Methods and intermediates for preparing therapeutic compounds CYP11A1, CYP11B1, CYP11B2 POLB 361/4885CYP2C19 564/4885CYP2C9 223/4885
US-10696657-B2 Methods and intermediates for preparing therapeutic compounds CYP11A1, CYP11B1, CYP11B2 POLB 361/4885CYP2C19 564/4885CYP2C9 223/4885
US-20200369647-A1 METHODS AND INTERMEDIATES FOR PREPARING THERAPEUTIC COMPOUNDS CYP11A1, CYP11B1, CYP11B2 POLB 361/4885CYP2C19 564/4885CYP2C9 223/4885

“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.

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