SCHEMBL4538147

SCHEMBL4538147

COc1ccc(C(C#N)=Cc2ccc(N3CCC(C(CC(=O)O)C(=O)O)CC3)s2)cc1OC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.69
▸ ABCG2 Q9UNQ0 1/20 0.69
▸ PDE4B Q07343 2/20 0.39
▸ STING1 Q86WV6 1/20 0.38
▸ HPGD P15428 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ KDM2B Q8NHM5 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ POLB P06746 2/20 0.34
▸ TUBB4A P04350 1/20 0.34
▸ TUBB P07437 1/20 0.34
▸ TUBA3C P0DPH7 1/20 0.34
▸ TUBA1B P68363 1/20 0.34
▸ TUBA4A P68366 1/20 0.34
▸ TUBB4B P68371 1/20 0.34
▸ TUBB3 Q13509 1/20 0.34
▸ TUBB2A Q13885 1/20 0.34

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
SCHEMBL4538145 1.00 ABCB1 (0.69) ABCB1ABCG2PDE4BSTING1HPGD
SCHEMBL15640200 0.99 ABCB1 (0.68) ABCB1ABCG2PDE4BSTING1HPGD
SCHEMBL18543729 0.88 ABCB1 (0.59) ABCB1ABCG2PDE4BSTING1HPGD
Hydrochloric Acid SCHEMBL4560078 0.88 ABCB1 (0.57) ABCB1ABCG2PDE4BSLC6A4KDM4E
SCHEMBL15640199 0.88 ABCB1 (0.68) ABCB1ABCG2PDE4BHPGDSLC6A4
SCHEMBL15640201 0.88 ABCB1 (0.68) ABCB1ABCG2PDE4BHPGDSLC6A4
SCHEMBL18543730 0.87 ABCB1 (0.59) ABCB1ABCG2PDE4BSTING1KDM4E
SCHEMBL18543735 0.86 ABCB1 (0.57) ABCB1ABCG2PDE4BHPGDKDM4E
SCHEMBL18543731 0.86 ABCB1 (0.57) ABCB1ABCG2PDE4BHPGDLMNA
SCHEMBL18543728 0.86 ABCB1 (0.68) ABCB1ABCG2PDE4BHPGDSLC6A4

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
EP-2332905-B1 BCRP/ABCG2 Inhibitor YAKULT HONSHA KK (JP) 2017-03-01 — — EP claimed
US-8697742-B2 BCRP/ABCG2 inhibitor KABUSHIKI KAISHA YAKULT HONSHA (JP) 2014-04-15 — — US claimed
US-20090253656-A1 BCRP/ABCG2 INHIBITOR KABUSHIKI KAISHA YAKULT HONSHA (JP) 2009-10-08 — — US claimed
US-8697742-B2 BCRP/ABCG2 inhibitor KABUSHIKI KAISHA YAKULT HONSHA (JP) 2014-04-15 — — 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-20090253656-A1 BCRP/ABCG2 INHIBITOR ABCC1, ABCB1, BRCA1 ABCB1 2/4885ABCG2 7/4885PDE4B 4786/4885

“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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