SCHEMBL14488052

SCHEMBL14488052

Cc1c(CCO)c(C2CC2)nn1CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.44
▸ GAA P10253 2/20 0.42
▸ EPHX2 P34913 1/20 0.40
▸ LMNA P02545 1/20 0.36
▸ PTGDR2 Q9Y5Y4 9/20 0.35
▸ SLC22A12 Q96S37 1/20 0.32
▸ CHRNA7 P36544 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ TYK2 P29597 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ P2RX7 Q99572 1/20 0.31

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
SCHEMBL17697521 0.82 NPSR1 (0.31) NPSR1
SCHEMBL16006449 0.75 JAK2 (0.30) JAK2JAK1TYK2JAK3
SCHEMBL17761565 0.74 — —
SCHEMBL16154694 0.72 — —
SCHEMBL31648311 0.69 ALDH1A1 (0.44) ALDH1A1GAAEPHX2LMNANPSR1
SCHEMBL31648531 0.68 ALDH1A1 (0.46) ALDH1A1GAAEPHX2LMNAPTGDR2
SCHEMBL31648570 0.67 EPHX2 (0.44) ALDH1A1GAAEPHX2LMNASLC22A12
SCHEMBL23793284 0.66 EPHX2 (0.40) ALDH1A1GAAEPHX2LMNASLC22A12
SCHEMBL19007302 0.65 ALDH1A1 (0.65) ALDH1A1GAALMNAPTGDR2P2RX7
SCHEMBL15724345 0.65 ALDH1A1 (0.46) ALDH1A1GAAEPHX2LMNAPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3954679-A2 AMIDE COMPOUNDS FOR THE TREATMENT OF HIV INFECTIONS Gilead Sciences, Inc. (US) 2022-02-16 — — EP disclosed
EP-3409667-B1 AMIDE COMPOUNDS FOR THE TREATMENT OF HIV INFECTIONS GILEAD SCIENCES INC (US) 2021-07-21 — — EP disclosed
US-20210009555-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2021-01-14 — — US disclosed
EP-3409667-A1 AMIDE COMPOUNDS FOR THE TREATMENT OF HIV INFECTIONS Gilead Sciences, Inc. (US) 2018-12-05 — — EP disclosed
US-20180273508-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-09-27 — — US disclosed
EP-2961742-B1 AMIDE COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES INC (US) 2018-08-01 — — EP disclosed
US-9951043-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2018-04-24 — — US disclosed
US-20160108030-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-04-21 — — US disclosed
EP-2961742-A2 AMIDE COMPOUNDS FOR THE TREATMENT OF HIV Gilead Sciences, Inc. (US) 2016-01-06 — — EP disclosed
US-20140303164-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2014-10-09 — — US disclosed
WO-2014134566-A2 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-09-04 — — WO disclosed
WO-2013006792-A1 ANTIVIRAL COMPOUNDS PHARMARESOURCES (SHANGHAI) CO., LTD. (CN) 2013-01-10 — — WO disclosed
WO-2013006792-A1 ANTIVIRAL COMPOUNDS PHARMARESOURCES (SHANGHAI) CO., LTD. (CN) 2013-01-10 — — WO 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-20180273508-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, RPL35 ALDH1A1 351/4885GAA 17/4885EPHX2 2991/4885
US-20210009555-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, RPL35 ALDH1A1 351/4885GAA 17/4885EPHX2 2991/4885
US-20160108030-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, RPL35 ALDH1A1 351/4885GAA 17/4885EPHX2 2991/4885
US-20140303164-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD ALDH1A1 372/4885GAA 18/4885EPHX2 3048/4885

“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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