SCHEMBL11977584

SCHEMBL11977584

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 4/20 0.45
▸ KMT2A Q03164 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ CTSS P25774 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ PRSS1 P07477 1/20 0.38
▸ CTSG P08311 1/20 0.38
▸ CTRB1 P17538 1/20 0.38
▸ CMA1 P23946 1/20 0.38
▸ NOD1 Q9Y239 3/20 0.38
▸ P2RY12 Q9H244 4/20 0.37
▸ ATM Q13315 1/20 0.37
▸ CCKBR P32239 1/20 0.36

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
SCHEMBL14079862 1.00 CTSK (0.45) CTSKKMT2APOLBCTSSL3MBTL1
SCHEMBL18012238 0.95 KMT2A (0.49) CTSKKMT2APOLBCTSSL3MBTL1
SCHEMBL11977586 0.93 CTSK (0.40) CTSKKMT2APOLBCTSSL3MBTL1
SCHEMBL25500375 0.91 PRSS1 (0.40) CTSKKMT2APOLBCTSSL3MBTL1
SCHEMBL10089716 0.91 PRSS1 (0.40) CTSKKMT2APOLBCTSSL3MBTL1
SCHEMBL30185954 0.91 CTSK (0.45) CTSKCTSSNOD1
SCHEMBL16374717 0.90 CTSK (0.40) CTSKKMT2APOLBCTSSTDP1
SCHEMBL29762744 0.89 SELL (0.43) CTSKCTSS
SCHEMBL23972673 0.89 GLP1R (0.44) KMT2AL3MBTL1TDP1NOD1P2RY12
SCHEMBL20018464 0.89 GLP1R (0.44) KMT2AL3MBTL1TDP1NOD1P2RY12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180111895-A1 Heterodimers of Glutamic Acid MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2018-04-26 — — US disclosed
US-9878980-B2 Heterodimers of glutamic acid MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2018-01-30 — — US disclosed
US-9782493-B2 Conjugates for treating diseases caused by PSMA expressing cells ENDOCYTE, INC. (US) 2017-10-10 — — US disclosed
US-20170258932-A1 CONJUGATES FOR TREATING DISEASES CAUSED BY PSMA EXPRESSING CELLS ENDOCYTE INC (US) 2017-09-14 — — US disclosed
US-20170044098-A1 Heterodimers of Glutamic Acid MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2017-02-16 — — US disclosed
US-20160361376-A1 CONJUGATES FOR TREATING DISEASES CAUSED BY PSMA EXPRESSING CELLS ENDOCYTE, INC. 2016-12-15 — — US disclosed
US-20160279235-A1 Heterodimers of Glutamic Acid CITIZENS BANK, N.A. 2016-09-29 — — US disclosed
US-9309193-B2 Heterodimers of glutamic acid MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2016-04-12 — — US disclosed
US-8487129-B2 Heterodimers of glutamic acid MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2013-07-16 — — US disclosed
US-8487129-B2 Heterodimers of glutamic acid MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2013-07-16 — — US disclosed
US-20120269726-A1 Heterodimers of Glutamic Acid MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2012-10-25 — — US disclosed
US-20120208988-A1 HETERODIMERS OF GLUTAMIC ACID MOLECULAR INSIGHTS PHARMACEUTICALS, INC. (US) 2012-08-16 — — US disclosed
US-20080193381-A1 HETERODIMERS OF GLUTAMIC ACID MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2008-08-14 — — 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 (8 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-20160361376-A1 CONJUGATES FOR TREATING DISEASES CAUSED BY PSMA EXPRESSING CELLS FOLH1, KLK3, CD47 CTSK 503/4885KMT2A 961/4885POLB 4314/4885
US-20160279235-A1 Heterodimers of Glutamic Acid DDO, GLUL, ASNS CTSK 3605/4885KMT2A 2413/4885POLB 2563/4885
US-20120269726-A1 Heterodimers of Glutamic Acid DDO, GLUL, ASNS CTSK 3582/4885KMT2A 2428/4885POLB 2584/4885
US-20080193381-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
US-20170258932-A1 CONJUGATES FOR TREATING DISEASES CAUSED BY PSMA EXPRESSING CELLS FOLH1, KLK3, CD47 CTSK 503/4885KMT2A 961/4885POLB 4314/4885
US-20170044098-A1 Heterodimers of Glutamic Acid DDO, GLUL, ASNS CTSK 3665/4885KMT2A 2385/4885POLB 2426/4885
US-20180111895-A1 Heterodimers of Glutamic Acid DDO, GLUL, ASNS CTSK 3611/4885KMT2A 2466/4885POLB 2566/4885

“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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