SCHEMBL15048027

SCHEMBL15048027

C[C@H](NC(=O)OCc1ccccc1)c1ccc(OC2CNC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.53
▸ TSHR P16473 3/20 0.53
▸ CTSL P07711 5/20 0.50
▸ CTSS P25774 5/20 0.50
▸ CTSK P43235 4/20 0.50
▸ ACACB O00763 3/20 0.50
▸ ATM Q13315 2/20 0.50
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ ACHE P22303 1/20 0.49
▸ HTR2C P28335 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ TACR1 P25103 1/20 0.46

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
SCHEMBL15918664 0.92 ACACB (0.49) CYP3A4TSHRCTSLCTSSCTSK
SCHEMBL15083894 0.84 CYP3A4 (0.54) CYP3A4TSHRCTSLCTSSCTSK
SCHEMBL15901017 0.81 ACACB (0.59) CYP3A4TSHRCTSLCTSSCTSK
SCHEMBL7414382 0.81 CA1 (0.70) CYP3A4TSHRCTSLCTSSCTSK
SCHEMBL15023583 0.81 ACACB (0.52) ACACB
SCHEMBL30460502 0.80 ATM (0.68) CYP3A4TSHRCTSLCTSSCTSK
SCHEMBL8530402 0.80 ATM (0.68) CYP3A4TSHRCTSLCTSSCTSK
SCHEMBL21469067 0.80 ATM (0.68) CYP3A4TSHRCTSLCTSSCTSK
SCHEMBL15048243 0.80 ACACB (0.49) CYP3A4TSHRACACBTACR1
SCHEMBL15075586 0.80 ACACB (0.49) CYP3A4TSHRACACBTACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2794586-B1 NEW AZIRIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS ACETYL-COA CARBOXYLASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-04-20 — — EP disclosed
US-8530460-B2 Azetidine derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-10 — — US disclosed
US-8530460-B2 Azetidine derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-10 — — US disclosed
WO-2013092616-A1 NEW AZIRIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS ACETYL-COA CARBOXYLASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-27 — — WO disclosed
US-20130158004-A1 Azetidine Derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 — — 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-20130158004-A1 Azetidine Derivatives GPR119, LIPE, LPL CYP3A4 306/4885TSHR 707/4885CTSL 2701/4885

“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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