SCHEMBL3287017

SCHEMBL3287017

O=C[C@H](Cc1ccsc1)NC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 3/20 0.46
▸ OPRM1 P35372 8/20 0.43
▸ OPRK1 P41145 6/20 0.43
▸ OPRD1 P41143 5/20 0.43
▸ SLC1A3 P43003 2/20 0.42
▸ SLC1A2 P43004 2/20 0.42
▸ SLC1A1 P43005 2/20 0.42
▸ CAPN1 P07384 3/20 0.42
▸ CTSS P25774 1/20 0.40
▸ CTSK P43235 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL3287025 1.00 MME (0.46) MMEOPRM1OPRK1OPRD1SLC1A3
SCHEMBL8249357 0.79 CTSK (0.58) MMECTSSCTSK
SCHEMBL22086282 0.79 OPRM1 (0.40) MMEOPRM1OPRK1OPRD1SLC1A3
SCHEMBL15203049 0.79 OPRM1 (0.40) MMEOPRM1OPRK1OPRD1SLC1A3
SCHEMBL3292711 0.78 CAPN1 (0.61) CAPN1
SCHEMBL2369340 0.78 CAPN1 (0.61) CAPN1
SCHEMBL17865652 0.78 CAPN1 (0.61) CAPN1
SCHEMBL20741214 0.78 OPRM1 (0.56) MMEOPRM1OPRK1OPRD1
SCHEMBL20741215 0.78 OPRM1 (0.56) MMEOPRM1OPRK1OPRD1
SCHEMBL20791650 0.75 OPRM1 (0.54) MMEOPRM1OPRK1OPRD1CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204160-A1 SUBSTITUTED 1,2-ETHYLENEDIAMINES, METHODS FOR PREPARING THEM AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-12 — — US disclosed
US-7713961-B2 Substituted 1,2-ethylenediamines, methods for preparing them and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-11 — — US disclosed
US-20090325940-A1 Substituted 1,2-ethylenediamines, Methods for Preparing Them and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-31 — — US disclosed
EP-1866034-A1 SUBSTITUTED 1,2-ETHYLENDIAMINES, MEDICAMENTS COMPRISING SAID COMPOUND; THEIR USE AND THEIR METHOD OF MANUFACTURE Boehringer Ingelheim International GmbH (DE) 2007-12-19 — — EP disclosed
US-20060223759-A1 Substituted 1,2-ethylenediamines, Methods for Preparing Them and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-05 — — US disclosed
WO-2006103038-A1 SUBSTITUTED 1,2-ETHYLENDIAMINES, MEDICAMENTS COMPRISING SAID COMPOUND; THEIR USE AND THEIR METHOD OF MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-05 — — WO 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 (3 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-20060223759-A1 Substituted 1,2-ethylenediamines, Methods for Preparing Them and Uses Thereof PSEN1, PSEN2, BACE1 MME 72/4885OPRM1 2015/4885OPRK1 2007/4885
US-20100204160-A1 SUBSTITUTED 1,2-ETHYLENEDIAMINES, METHODS FOR PREPARING THEM AND USES THEREOF PSEN1, PSEN2, BACE1 MME 72/4885OPRM1 2015/4885OPRK1 2007/4885
US-20090325940-A1 Substituted 1,2-ethylenediamines, Methods for Preparing Them and Uses Thereof PSEN1, PSEN2, BACE1 MME 72/4885OPRM1 2015/4885OPRK1 2007/4885

“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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