SCHEMBL3748764

SCHEMBL3748764

COC(=O)C(NC(=O)OC(C)(C)C)C1CC2CCC(C1)N2C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.50
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KLK7 P49862 4/20 0.45
KLK5 Q9Y337 4/20 0.45
SYK P43405 1/20 0.44
AGTR2 P50052 1/20 0.43
HTR2C P28335 1/20 0.42
PPARA Q07869 1/20 0.41
YAP1 P46937 1/20 0.41
HTRA1 Q92743 1/20 0.40
HTT P42858 1/20 0.40
PDE4B Q07343 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL3744365 1.00 CTSL (0.50) CTSLKMT2AL3MBTL1KLK7KLK5
SCHEMBL11902313 0.93 CTSL (0.51) CTSLKMT2AL3MBTL1KLK7KLK5
SCHEMBL6880634 0.93 CTSL (0.51) CTSLKMT2AL3MBTL1KLK7KLK5
SCHEMBL1163671 0.92 CTSL (0.49) CTSLKMT2AL3MBTL1KLK7KLK5
SCHEMBL1163483 0.91 CYP3A4 (0.47) KMT2AHTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL1163564 0.89 CTSL (0.41) CTSLKMT2AL3MBTL1KLK7KLK5
SCHEMBL13078575 0.86 CTSL (0.46) CTSLKMT2AL3MBTL1KLK7KLK5
SCHEMBL21653658 0.84 KMT2A (0.62) CTSLKMT2AL3MBTL1SYKAGTR2
SCHEMBL21653773 0.84 KMT2A (0.62) CTSLKMT2AL3MBTL1SYKAGTR2
SCHEMBL21653776 0.84 KMT2A (0.62) CTSLKMT2AL3MBTL1SYKAGTR2

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-8338450-B2 Compounds as dipeptidyl peptidase IV (DPP IV) inhibitors LUPIN LIMITED (IN) 2012-12-25 US claimed
US-20100291020-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS LUPIN LIMITED (IN) 2010-11-18 US claimed
US-20120203004-A1 PROCESS FOR THE SYNTHESIS OF ALKYL/ARALKYL (2S)-2-(TERT-BUTOXYCARBONYL)-AMINO-2-[-8-AZABICYCLO[3.2.1]OCT-3-YL]-EXO-ACETATE AND ANALOGS THEREOF: KEY INTERMEDIATES FOR THE PREPARATION OF DPPIV INHIBITORS LUPIN LIMITED (IN) 2012-08-09 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 (2 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-20120203004-A1 PROCESS FOR THE SYNTHESIS OF ALKYL/ARALKYL (2S)-2-(TERT-BUTOXYCARBONYL)-AMINO-2-[-8-AZABICYCLO[3.2.1]OCT-3-YL]-EXO-ACETATE AND ANALOGS THEREOF: KEY INTERMEDIATES FOR THE PREPARATION OF DPPIV INHIBITORS DPP4, DPP8, DPP7 CTSL 72/4885KMT2A 3038/4885L3MBTL1 3814/4885
US-20100291020-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS DPP4, DPP7, DPP3 CTSL 411/4885KMT2A 3499/4885L3MBTL1 3160/4885

“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.