SCHEMBL5117553

SCHEMBL5117553

COc1ccc(C(=O)N2CCC(NC(=S)[C@@H](CCC3CCCCC3)NC(=O)[C@@H]3CSCN3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.48
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 1/20 0.40
POLB P06746 3/20 0.39
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.38
CTSL P07711 1/20 0.37
CTSS P25774 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
GRM3 Q14832 3/20 0.37

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
SCHEMBL5117012 0.90 EPHX2 (0.46) EPHX2KMT2AALDH1A1POLBMEN1
SCHEMBL7039415 0.89 SIGMAR1 (0.44) ALDH1A1
Hydrochloric Acid SCHEMBL5144791 0.88 SIGMAR1 (0.43) ALDH1A1
SCHEMBL5117548 0.83 EPHX2 (0.47) EPHX2KMT2AALDH1A1POLBGAA
SCHEMBL5351761 0.82 MC4R (0.33) ALDH1A1GAARAB9A
SCHEMBL5114337 0.82 EPHX2 (0.51) EPHX2KMT2AALDH1A1POLBGAA
SCHEMBL5344813 0.82 ALDH1A1 (0.46) KMT2AALDH1A1POLBMEN1CTSL
SCHEMBL4845539 0.82 ALDH1A1 (0.46) KMT2AALDH1A1POLBMEN1CTSL
SCHEMBL5113479 0.81 EPHX2 (0.46) EPHX2KMT2AALDH1A1POLBMEN1
Hydrochloric Acid SCHEMBL5343346 0.81 ALDH1A1 (0.45) KMT2AALDH1A1POLBMEN1CTSL

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-20030232806-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. 2003-12-18 US claimed
EP-1090912-A1 AMINO ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-04-11 EP claimed
US-7351721-B2 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-01 US disclosed
US-20030232806-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. 2003-12-18 US disclosed
US-6605608-B1 Such as n-(1-benzylpiperidin-4-yl)-3-cyclohexylmethylthio-2-((4R)-3-t -butoxycarbonylthiazolidin-4-ylcarbonylamino)propan-a mide; n-type calcium channel inhibitors ONO PHARMACEUTICAL CO., LTD (JP) 2003-08-12 US disclosed
EP-1090912-A1 AMINO ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-04-11 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-20030232806-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them CACNA1I, CACNA1S, CACNA1B EPHX2 2908/4885KMT2A 1244/4885ALDH1A1 3281/4885

“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.