SCHEMBL17747440

SCHEMBL17747440

COc1cc(-c2c(C(=O)O)c(C)nc3sc(C(=O)c4ccccc4)c(N)c23)cc(OC)c1OC

nearest known ligand 0.82

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 16/20 0.82
▸ ABCC1 P33527 9/20 0.82
▸ CHRM4 P08173 3/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ PIM1 P11309 1/20 0.52
▸ KDR P35968 1/20 0.52

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
SCHEMBL17747444 0.94 ABCG2 (0.86) ABCG2ABCC1CHRM4ALDH1A1PIM1
SCHEMBL17747459 0.93 ABCG2 (0.73) ABCG2ABCC1PIM1KDR
SCHEMBL17747473 0.93 ABCG2 (0.72) ABCG2ABCC1CHRM4KDM4EALDH1A1
SCHEMBL17747462 0.92 ABCG2 (0.72) ABCG2ABCC1CHRM4KDM4EALDH1A1
SCHEMBL17747430 0.92 ABCG2 (0.75) ABCG2ABCC1CHRM4PIM1KDR
SCHEMBL17747437 0.92 ABCG2 (0.75) ABCG2ABCC1ALDH1A1PIM1KDR
SCHEMBL17747496 0.90 ABCG2 (1.00) ABCG2ABCC1KDM4EALDH1A1
SCHEMBL17747487 0.88 ABCG2 (1.00) ABCG2ABCC1KDM4EALDH1A1
SCHEMBL17747471 0.86 ABCG2 (0.81) ABCG2ABCC1KDM4EALDH1A1
SCHEMBL17747436 0.86 ABCG2 (1.00) ABCG2ABCC1CHRM4ALDH1A1PIM1

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-9908893-B2 Thieno [2,3-b] pyridines as multidrug resistance modulators LATVIAN INSTITUTE OF ORGANIC SYNTHESIS (LV) 2018-03-06 — — US disclosed
US-20160137664-A1 THIENO [2,3-b] PYRIDINES AS MULTIDRUG RESISTANCE MODULATORS LATVIAN INSTITUTE OF ORGANIC SYNTHESIS (LV) 2016-05-19 — — 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-20160137664-A1 THIENO [2,3-b] PYRIDINES AS MULTIDRUG RESISTANCE MODULATORS ABCC1, ABCB1, MT-CO1 ABCG2 223/4885ABCC1 1/4885CHRM4 874/4885

“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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