SCHEMBL27013344

SCHEMBL27013344

CC[C@H](C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)NC(CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCN)NC1=O)[C@@H](C)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 1.00
▸ RCOR1 Q9UKL0 2/20 1.00
▸ LDHB P07195 3/20 0.43
▸ TERF2IP Q9NYB0 4/20 0.42
▸ EGFR P00533 1/20 0.41
▸ LCK P06239 1/20 0.41
▸ HKDC1 Q2TB90 1/20 0.39
▸ NPY1R P25929 1/20 0.39
▸ NPY2R P49146 1/20 0.39
▸ NPY4R P50391 1/20 0.39
▸ NPY5R Q15761 1/20 0.39
▸ PSMB5 P28074 2/20 0.39
▸ PSMB2 P49721 1/20 0.39
▸ SSTR2 P30874 3/20 0.39
▸ SSTR4 P31391 3/20 0.39
▸ SSTR5 P35346 3/20 0.39

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
SCHEMBL136097 1.00 KDM1A (1.00) KDM1ARCOR1LDHBTERF2IPEGFR
SCHEMBL18902502 1.00 KDM1A (1.00) KDM1ARCOR1LDHBTERF2IPEGFR
SCHEMBL14241069 1.00 KDM1A (1.00) KDM1ARCOR1LDHBTERF2IPEGFR
SCHEMBL7799155 1.00 KDM1A (1.00) KDM1ARCOR1LDHBTERF2IPEGFR
SCHEMBL16549195 1.00 KDM1A (1.00) KDM1ARCOR1LDHBTERF2IPEGFR
SCHEMBL23626629 1.00 KDM1A (1.00) KDM1ARCOR1LDHBTERF2IPEGFR
SCHEMBL19532503 1.00 KDM1A (1.00) KDM1ARCOR1LDHBTERF2IPEGFR
SCHEMBL15507051 1.00 KDM1A (1.00) KDM1ARCOR1LDHBTERF2IPEGFR
SCHEMBL21991628 1.00 KDM1A (1.00) KDM1ARCOR1LDHBTERF2IPEGFR
Polymyxin B2 SCHEMBL29514784 0.99 KDM1A (0.98) KDM1ARCOR1LDHBTERF2IPEGFR

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-20240016883-A1 DRUG COMPOSITION, METHOD FOR TREATING INFECTION, DISINFECTING COMPOSITION, AND DRUG ADJUVANT CITY UNIVERSITY OF HONG KONG (HK) 2024-01-18 — — 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-20240016883-A1 DRUG COMPOSITION, METHOD FOR TREATING INFECTION, DISINFECTING COMPOSITION, AND DRUG ADJUVANT PHOSPHO1, O60361, TLR5 KDM1A 2490/4885RCOR1 4130/4885LDHB 1942/4885

“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.

Send feedback