SCHEMBL15724345

SCHEMBL15724345

Cc1c2c(nn1CC(=O)O)C1CC1C2=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.46
▸ GAA P10253 1/20 0.44
▸ LMNA P02545 1/20 0.38
▸ PTGDR2 Q9Y5Y4 3/20 0.31
▸ EPHX2 P34913 1/20 0.31
▸ L3MBTL1 Q9Y468 3/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ FNTA P49354 1/20 0.30
▸ FNTB P49356 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
SCHEMBL15724347 0.85 MAPK1 (0.43) ALDH1A1GAALMNASMN1; SMN2
SCHEMBL14489168 0.78 LMNA (0.38) ALDH1A1LMNA
SCHEMBL14555879 0.67 LMNA (0.47) ALDH1A1GAALMNATDP1
SCHEMBL14487939 0.67 LMNA (0.47) ALDH1A1GAALMNATDP1
SCHEMBL31648531 0.67 ALDH1A1 (0.46) ALDH1A1GAALMNAPTGDR2EPHX2
SCHEMBL31648311 0.65 ALDH1A1 (0.44) ALDH1A1GAALMNAEPHX2SMN1; SMN2
SCHEMBL14488052 0.65 ALDH1A1 (0.44) ALDH1A1GAALMNAPTGDR2EPHX2
SCHEMBL13066493 0.64 ALDH1A1 (1.00) ALDH1A1GAALMNAPTGDR2L3MBTL1
SCHEMBL3581633 0.61 ALDH1A1 (0.67) ALDH1A1GAALMNAPTGDR2ALOX15
SCHEMBL3585241 0.61 ALDH1A1 (0.67) ALDH1A1GAALMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 — — US disclosed
US-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 — — US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 — — US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 — — US disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 — — 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-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN ALDH1A1 649/4885GAA 148/4885LMNA 3182/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN ALDH1A1 649/4885GAA 148/4885LMNA 3182/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN ALDH1A1 649/4885GAA 148/4885LMNA 3182/4885

“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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