SCHEMBL11977586

SCHEMBL11977586

CCCCCC(CCCCC)NC(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 4/20 0.40
▸ KMT2A Q03164 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ PLA2G2C Q5R387 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PRSS1 P07477 1/20 0.36
▸ CTSG P08311 1/20 0.36
▸ CTRB1 P17538 1/20 0.36
▸ CMA1 P23946 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ P2RY12 Q9H244 5/20 0.35
▸ CCKBR P32239 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HTT P42858 1/20 0.34

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
SCHEMBL11977584 0.93 CTSK (0.45) CTSKKMT2APOLBL3MBTL1PRSS1
SCHEMBL14079862 0.93 CTSK (0.45) CTSKKMT2APOLBL3MBTL1PRSS1
SCHEMBL18012238 0.89 KMT2A (0.49) CTSKKMT2APOLBL3MBTL1CTSS
SCHEMBL25500375 0.88 PRSS1 (0.40) CTSKKMT2APOLBL3MBTL1PRSS1
SCHEMBL10089716 0.88 PRSS1 (0.40) CTSKKMT2APOLBL3MBTL1PRSS1
SCHEMBL30185954 0.85 CTSK (0.45) CTSKCTSS
SCHEMBL16374717 0.84 CTSK (0.40) CTSKKMT2APOLBCTSSP2RY12
SCHEMBL29762744 0.83 SELL (0.43) CTSKPLA2G2CCTSS
SCHEMBL23972673 0.83 GLP1R (0.44) KMT2AL3MBTL1P2RY12TDP1
SCHEMBL20018464 0.83 GLP1R (0.44) KMT2AL3MBTL1P2RY12TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160279235-A1 Heterodimers of Glutamic Acid CITIZENS BANK, N.A. 2016-09-29 — — US disclosed
US-20120208988-A1 HETERODIMERS OF GLUTAMIC ACID MOLECULAR INSIGHTS PHARMACEUTICALS, INC. (US) 2012-08-16 — — 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-20160279235-A1 Heterodimers of Glutamic Acid DDO, GLUL, ASNS CTSK 3605/4885KMT2A 2413/4885POLB 2563/4885
US-20120208988-A1 HETERODIMERS OF GLUTAMIC ACID DDO, GLUL, ASNS CTSK 3605/4885KMT2A 2413/4885POLB 2563/4885

“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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