Histidine

Histidine

SCHEMBL7553838

CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)O.N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.51
▸ F2 P00734 4/20 0.41
▸ REN P00797 4/20 0.41
▸ APLNR P35414 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ NTSR2 O95665 2/20 0.38
▸ NTSR1 P30989 2/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ MC4R P32245 1/20 0.38
▸ CMA1 P23946 2/20 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
SCHEMBL31124516 0.89 F2 (0.46) F2RENAPLNRNTSR2NTSR1
SCHEMBL31124515 0.89 F2 (0.46) F2RENAPLNRNTSR2NTSR1
SCHEMBL7152157 0.85 KMT2A (0.68) KMT2AMAPK1POLBCMA1
SCHEMBL7550451 0.85 KMT2A (0.68) KMT2AMAPK1POLBCMA1
SCHEMBL31127573 0.84 PSMB9 (0.42) KMT2AF2RENAPLNRNTSR2
SCHEMBL28067690 0.83 KMT2A (0.51) KMT2AMAPK1POLBCMA1
SCHEMBL29845324 0.81 REN (0.46) RENNTSR2NTSR1
SCHEMBL31072130 0.81 REN (0.46) RENNTSR2NTSR1OPRM1
SCHEMBL30661447 0.81 MC4R (0.45) KMT2AF2RENNTSR2NTSR1
SCHEMBL29521043 0.79 F2 (0.54) F2APLNROPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020183256-A1 Cytostatic-integrin conjugates having specifically cleavable linking units BAYER AKTIENGESELLSCHAFT (DE) 2002-12-05 — — US disclosed
US-20020173452-A1 Cytostatic-glycoconjugates having specifically cleavable linking units BAYER AKTIENGESELLSCHAFT (DE) 2002-11-21 — — US disclosed
WO-2002051862-A2 CYTOSTATIC-GLYCOCONJUGATES HAVING SPECIFICALLY CLEAVABLE PEPTIDICLINKING UNITS BAYER AKTIENGESELLSCHAFT (DE) 2002-07-04 — — WO disclosed
EP-1219634-A1 Cytostatic-glycoconjugates having specifically cleavable peptidic linking units Bayer Aktiengesellschaft (DE) 2002-07-03 — — EP disclosed
EP-1219305-A1 Conjugates of integrin receptor antagonists and a cytostatic agent having specifically cleavable linking units Bayer Aktiengesellschaft (DE) 2002-07-03 — — 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 (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-20020173452-A1 Cytostatic-glycoconjugates having specifically cleavable linking units CTSE, CTSL, CTSZ KMT2A 3269/4885F2 914/4885REN 741/4885
US-20020183256-A1 Cytostatic-integrin conjugates having specifically cleavable linking units ITGAV, ITGB3, ITGAL KMT2A 2966/4885F2 827/4885REN 2717/4885

“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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