SCHEMBL10435928

SCHEMBL10435928

CN(C)C(=O)[C@@H](N)Cc1ccc(O)cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 2/20 0.62
▸ TAAR1 Q96RJ0 3/20 0.53
▸ SLC6A2 P23975 1/20 0.53
▸ ESR1 P03372 3/20 0.50
▸ ESR2 Q92731 3/20 0.50
▸ HDAC8 Q9BY41 2/20 0.48
▸ DPP4 P27487 1/20 0.47
▸ ALPI P09923 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ XIAP P98170 1/20 0.43
▸ ERAP2 Q6P179 1/20 0.42
▸ LNPEP Q9UIQ6 1/20 0.42

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
Hydrochloric Acid SCHEMBL6165185 0.98 SLC7A5 (0.61) SLC7A5TAAR1SLC6A2ESR1ESR2
Hydrochloric Acid SCHEMBL6165180 0.98 SLC7A5 (0.61) SLC7A5TAAR1SLC6A2ESR1ESR2
SCHEMBL28097095 0.86 SLC7A5 (0.44) SLC7A5TAAR1SLC6A2ALPIPKM
SCHEMBL21319341 0.85 SLC7A5 (0.57) SLC7A5TAAR1SLC6A2ESR1ESR2
SCHEMBL18171811 0.84 TDP1 (0.44) SLC7A5DPP4ALPIPKMPTGS1
Hydrochloric Acid SCHEMBL6164900 0.84 SLC7A5 (0.43) SLC7A5DPP4ALPIPKMPTGS1
Hydrochloric Acid SCHEMBL6164908 0.84 SLC7A5 (0.43) SLC7A5DPP4ALPIPKMPTGS1
SCHEMBL18171813 0.84 TDP1 (0.44) SLC7A5DPP4ALPIPKMPTGS1
SCHEMBL30959049 0.84 ALPI (0.63) SLC7A5TAAR1SLC6A2HDAC8ALPI
SCHEMBL1764633 0.84 ALPI (0.63) SLC7A5TAAR1SLC6A2HDAC8ALPI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9266853-B2 Orally available viridiofungin derivative possessing anti-HCV activity CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-02-23 — — US disclosed
US-20150210666-A1 ORALLY AVAILABLE VIRIDIOFUNGIN DERIVATIVE POSSESSING ANTI-HCV ACTIVITY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-07-30 — — US disclosed
EP-0361482-A1 Dimethyl tyrosyl amide sulfides, sulfoxides and sulfones G.D. Searle & Co. (US) 1990-04-04 — — EP 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-20150210666-A1 ORALLY AVAILABLE VIRIDIOFUNGIN DERIVATIVE POSSESSING ANTI-HCV ACTIVITY ZC3HAV1, SLC10A1, CYP51A1 SLC7A5 1579/4885TAAR1 4590/4885SLC6A2 1817/4885

“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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