SCHEMBL22677626

SCHEMBL22677626

CCCCC[C@@H](O)CC(=O)N[C@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC(=O)[C@@H](CCN)NC1=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.63
▸ RCOR1 Q9UKL0 2/20 0.57
▸ CCR2 P41597 2/20 0.40
▸ NOD1 Q9Y239 1/20 0.37
▸ TERF2 Q15554 3/20 0.37
▸ PSMB5 P28074 6/20 0.36
▸ PSMB2 P49721 4/20 0.36
▸ LDHB P07195 1/20 0.35
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ HDAC9 Q9UKV0 1/20 0.34
▸ HDAC5 Q9UQL6 1/20 0.34
▸ APLNR P35414 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
SCHEMBL24270484 0.99 KDM1A (0.62) KDM1ARCOR1CCR2NOD1TERF2
SCHEMBL24270425 0.99 KDM1A (0.62) KDM1ARCOR1CCR2NOD1TERF2
SCHEMBL22678387 0.95 KDM1A (0.57) KDM1ARCOR1CCR2NOD1TERF2
SCHEMBL24270424 0.95 KDM1A (0.62) KDM1ARCOR1CCR2NOD1TERF2
SCHEMBL24270421 0.94 KDM1A (0.56) KDM1ARCOR1CCR2NOD1TERF2
SCHEMBL24270442 0.94 KDM1A (0.71) KDM1ARCOR1CCR2NOD1TERF2
SCHEMBL22677698 0.93 KDM1A (0.68) KDM1ARCOR1TERF2PSMB5PSMB2
SCHEMBL22677633 0.93 KDM1A (0.68) KDM1ARCOR1TERF2PSMB5PSMB2
SCHEMBL22677620 0.93 KDM1A (0.68) KDM1ARCOR1TERF2PSMB5PSMB2
SCHEMBL24270415 0.93 KDM1A (0.67) KDM1ARCOR1TERF2PSMB5PSMB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200361994-A1 PEPTIDE ANTIBIOTICS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-11-19 — — 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 (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-20200361994-A1 PEPTIDE ANTIBIOTICS NGLY1, VIP, PEPD KDM1A 4796/4885RCOR1 4836/4885CCR2 2582/4885

“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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