SCHEMBL13016765

SCHEMBL13016765

CCCc1cc(=S)oc2cc(OS(=O)(=O)c3ccc(C)cc3)cc(OS(=O)(=O)c3ccc(C)cc3)c12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALPL P05186 2/20 0.41
▸ ALPI P09923 2/20 0.41
▸ ENPP1 P22413 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ CA12 O43570 2/20 0.36
▸ CA2 P00918 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ MAOB P27338 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA9 Q16790 1/20 0.35

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
SCHEMBL7153670 0.88 ALDH1A1 (0.48) ALPLALPIENPP1KMT2ACA12
SCHEMBL7248801 0.77 ALDH1A1 (0.60) ALPLALPIENPP1KMT2ACA12
SCHEMBL3776213 0.73 ALDH1A1 (0.40) KMT2ACA2KDM4EALDH1A1HPGD
SCHEMBL13016940 0.72 TSSK1B (0.43) ALPLALPIKMT2ACYP1A2KDM4E
SCHEMBL26625027 0.70 ENPP1 (0.55) ALPLALPIENPP1KMT2ACA12
SCHEMBL5083041 0.67 MEN1 (0.58) KMT2ACA12CA2ALDH1A1HPGD
SCHEMBL2057491 0.65 KMT2A (0.57) KMT2ACYP1A2PTPN1CA12CA2
SCHEMBL6939225 0.64 MEN1 (0.55) KMT2ACA12CA2ALDH1A1HPGD
SCHEMBL8499431 0.64 ALPI (0.53) ALPLALPIENPP1KMT2ACYP1A2
SCHEMBL26624926 0.64 FUT7 (0.61) ENPP1KMT2ACA12CA2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324067-A1 TETRACYCLIC DIPYRANO-COUMARIN COMPOUNDS WITH ANTI-HIV AND ANTI-MYCOBACTERIUM TUBERCULOSIS ACTIVITIES INSTITUTE OF MATARIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2010-12-23 — — US disclosed
US-20100324067-A1 TETRACYCLIC DIPYRANO-COUMARIN COMPOUNDS WITH ANTI-HIV AND ANTI-MYCOBACTERIUM TUBERCULOSIS ACTIVITIES INSTITUTE OF MATARIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2010-12-23 — — 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-20100324067-A1 TETRACYCLIC DIPYRANO-COUMARIN COMPOUNDS WITH ANTI-HIV AND ANTI-MYCOBACTERIUM TUBERCULOSIS ACTIVITIES TBCB, TBC1D15, TBC1D5 ALPL 3483/4885ALPI 1838/4885ENPP1 1074/4885

“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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