SCHEMBL22326365

SCHEMBL22326365

Cc1cccc(C[C@@H](NNC(=O)OC(C)(C)C)C(=O)OCc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.57
TACR1 P25103 3/20 0.51
CTSS P25774 6/20 0.47
CTSK P43235 5/20 0.47
CTSL P07711 3/20 0.47
CTSB P07858 3/20 0.47
JAK2 O60674 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SYK P43405 1/20 0.46
ACE P12821 1/20 0.45
KLK5 Q9Y337 1/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL21164375 0.90 CTSS (0.53) POLBTACR1CTSSCTSKCTSL
SCHEMBL14576685 0.80 CTSS (0.56) POLBTACR1CTSSCTSKCTSL
SCHEMBL20905929 0.80 CTSS (0.56) POLBTACR1CTSSCTSKCTSL
SCHEMBL30051055 0.80 CTSS (0.56) POLBTACR1CTSSCTSKCTSL
SCHEMBL20905733 0.79 PTPN1 (0.55) TACR1CTSSCTSKCTSLCTSB
SCHEMBL7709696 0.79 PTPN1 (0.55) TACR1CTSSCTSKCTSLCTSB
SCHEMBL268722 0.79 ACE (0.65) CTSSCTSKCTSLCTSBJAK2
SCHEMBL16423 0.79 ACE (0.65) CTSSCTSKCTSLCTSBJAK2
SCHEMBL29907894 0.79 ACE (0.65) CTSSCTSKCTSLCTSBJAK2
SCHEMBL268723 0.79 ACE (0.65) CTSSCTSKCTSLCTSBJAK2

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-10738085-B1 Antimicrobial analogues of Gramicidin S UNIVERSITY OF SOUTH FLORIDA (US) 2020-08-11 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-10738085-B1 Antimicrobial analogues of Gramicidin S GMPS, AAAS, GNPDA1 POLB 510/4885TACR1 3714/4885CTSS 405/4885

“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.