SCHEMBL19088039

SCHEMBL19088039

C[C@]1(OCc2ccccc2)C(=O)O[C@@H]2C(OCc3ccccc3)[C@@]21OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSV O60911 1/20 0.40
▸ CTSL P07711 1/20 0.40
▸ CTSB P07858 1/20 0.40
▸ CTSS P25774 1/20 0.40
▸ CTSK P43235 1/20 0.40
▸ CTSC P53634 1/20 0.40
▸ CTSF Q9UBX1 1/20 0.40
▸ IDO1 P14902 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ CCKBR P32239 1/20 0.35
▸ ELANE P08246 2/20 0.35
▸ GSTP1 P09211 2/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ PSEN1 P49768 3/20 0.33
▸ PSEN2 P49810 3/20 0.33
▸ APH1B Q8WW43 3/20 0.33
▸ NCSTN Q92542 3/20 0.33
▸ APH1A Q96BI3 3/20 0.33
▸ PSENEN Q9NZ42 3/20 0.33

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
SCHEMBL12310817 0.72 CTSV (0.39) CTSVCTSLCTSBCTSSCTSK
SCHEMBL23278062 0.70 IDO1 (0.37) IDO1GSTP1BCHE
SCHEMBL18699921 0.70 GSTP1 (0.39) IDO1ALDH1A1ELANEGSTP1BCHE
SCHEMBL18516815 0.69 BCHE (0.38) IDO1GSTP1PSEN1PSEN2APH1B
SCHEMBL19650285 0.69 MAPT (0.38) CTSVCTSLCTSBCTSSCTSK
SCHEMBL14817052 0.68 LMNA (0.41) CTSVCTSLCTSBCTSSCTSK
SCHEMBL24168933 0.68 LMNA (0.41) CTSVCTSLCTSBCTSSCTSK
SCHEMBL3300637 0.68 LMNA (0.41) CTSVCTSLCTSBCTSSCTSK
SCHEMBL20959994 0.67 IDO1 (0.52) CTSVCTSLCTSBCTSSCTSK
SCHEMBL19101726 0.67 CTSV (0.39) CTSVCTSLCTSBCTSSCTSK

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-10988498-B2 Processes and intermediates for the preparation of 1′-substituted carba-nucleoside analogs GILEAD SCIENCES, INC. (US) 2021-04-27 — — US disclosed
US-10456414-B2 Methods for treating HCV GILEAD PHARMASSET LLC (US) 2019-10-29 — — US disclosed
US-RE46762-E1 1′-substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC (US) 2018-03-27 — — US disclosed
US-20170189439-A1 METHODS FOR TREATING HCV GILEAD SCIENCES, INC. 2017-07-06 — — 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 (3 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-10988498-B2 Processes and intermediates for the preparation of 1′-substituted carba-nucleoside analogs PNP, TYMP, CDA CTSV 2848/4885CTSL 2215/4885CTSB 3090/4885
US-10456414-B2 Methods for treating HCV HAVCR2, HCCS, LIPC CTSV 134/4885CTSL 468/4885CTSB 178/4885
US-20170189439-A1 METHODS FOR TREATING HCV HAVCR2, HCCS, LIPC CTSV 134/4885CTSL 468/4885CTSB 178/4885

“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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