SCHEMBL6721174

SCHEMBL6721174

CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(-c3cccc(C(=O)O)c3)o2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.67
▸ L3MBTL1 Q9Y468 8/20 0.67
▸ POLB P06746 8/20 0.67
▸ PKM P14618 4/20 0.67
▸ ALDH1A1 P00352 4/20 0.67
▸ HPGD P15428 3/20 0.67
▸ LDHA P00338 5/20 0.61
▸ KDM4E B2RXH2 10/20 0.59
▸ TDP1 Q9NUW8 4/20 0.59
▸ NPC1 O15118 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ HIF1A Q16665 1/20 0.54
▸ EPAS1 Q99814 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ KMT2A Q03164 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ THRB P10828 1/20 0.51
▸ GAA P10253 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ MAPK1 P28482 1/20 0.50

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
SCHEMBL6721168 0.85 MAPT (0.68) MAPTL3MBTL1POLBPKMALDH1A1
SCHEMBL8252781 0.79 MAPT (0.62) MAPTL3MBTL1POLBPKMALDH1A1
SCHEMBL6721172 0.77 MAPT (0.78) MAPTL3MBTL1POLBPKMALDH1A1
SCHEMBL10143902 0.75 MAPT (0.60) MAPTL3MBTL1POLBPKMALDH1A1
SCHEMBL19420133 0.73 MAPT (0.76) MAPTL3MBTL1POLBPKMALDH1A1
SCHEMBL16291453 0.72 KDM4E (0.67) MAPTL3MBTL1POLBPKMALDH1A1
SCHEMBL6721170 0.71 LDHA (1.00) MAPTL3MBTL1POLBPKMALDH1A1
SCHEMBL2954418 0.71 HIF1A (1.00) MAPTALDH1A1HPGDNPC1RAB9A
SCHEMBL30460318 0.71 HIF1A (1.00) MAPTALDH1A1HPGDNPC1RAB9A
SCHEMBL17365270 0.69 KMT2A (0.63) MAPTPOLBPKMALDH1A1HPGD

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-8183236-B2 Compounds with HIV-1 integrase inhibitory activity and use thereof as anti-HIV/AIDS therapeutics UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2012-05-22 — — US disclosed
US-8183236-B2 Compounds with HIV-1 integrase inhibitory activity and use thereof as anti-HIV/AIDS therapeutics UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2012-05-22 — — US disclosed
US-20090088420-A1 COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-04-02 — — US disclosed
US-20090088420-A1 COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-04-02 — — 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-20090088420-A1 COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS TYMP, IMPDH1, SAMHD1 MAPT 2174/4885L3MBTL1 217/4885POLB 26/4885

“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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