SCHEMBL2194704

SCHEMBL2194704

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@H]([C]=O)Cc1c[nH]c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IL1RN P18510 9/20 0.55
ERAP2 Q6P179 9/20 0.55
NPBWR1 P48145 2/20 0.54
ERAP1 Q9NZ08 2/20 0.53
KISS1R Q969F8 3/20 0.53
CTSC P53634 2/20 0.50
ECE1 P42892 3/20 0.49

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
SCHEMBL2183858 0.96 IL1RN (0.52) IL1RNERAP2NPBWR1ERAP1KISS1R
SCHEMBL2183137 0.89 CTSC (0.61) CTSCECE1
SCHEMBL10750299 0.88 CTSC (0.54) IL1RNERAP2ERAP1CTSCECE1
SCHEMBL16468415 0.86 GHSR (0.51) NPBWR1KISS1R
SCHEMBL29987530 0.85 ECE1 (0.64) IL1RNERAP2ERAP1ECE1
SCHEMBL31247322 0.85 ERAP2 (0.66) IL1RNERAP2ERAP1KISS1RECE1
SCHEMBL5557252 0.85 CTSC (0.61) CTSCECE1
SCHEMBL30051545 0.84 ECE1 (0.65) IL1RNERAP2ERAP1ECE1
SCHEMBL30051718 0.84 ERAP2 (0.64) IL1RNERAP2ERAP1ECE1
SCHEMBL30169818 0.84 ERAP2 (0.64) IL1RNERAP2ERAP1ECE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680263-B2 Carbohydrate-based drug delivery polymers and conjugates thereof NEKTAR THERAPEUTICS (US) 2014-03-25 US disclosed
US-20110171716-A1 CARBOHYDRATE-BASED DRUG DELIVERY POLYMERS AND CONJUGATES THEREOF NEKTAR THERAPEUTICS (US) 2011-07-14 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 (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-20110171716-A1 CARBOHYDRATE-BASED DRUG DELIVERY POLYMERS AND CONJUGATES THEREOF STT3B, STT3A, DDOST IL1RN 3251/4885ERAP2 1822/4885NPBWR1 1099/4885

“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.