SCHEMBL2192238

SCHEMBL2192238

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 3/20 0.57
IL1RN P18510 7/20 0.56
ERAP2 Q6P179 7/20 0.56
ERAP1 Q9NZ08 1/20 0.54
MMP2 P08253 8/20 0.54
MMP9 P14780 6/20 0.54
MMP8 P22894 6/20 0.54
MMP1 P03956 3/20 0.54
ECE1 P42892 1/20 0.52
ADAM10 O14672 1/20 0.52
ADAM12 O43184 1/20 0.52
ADAMTS4 O75173 1/20 0.52
MMP3 P08254 1/20 0.52
MMP7 P09237 1/20 0.52
MMP12 P39900 1/20 0.52
MMP13 P45452 1/20 0.52
MMP14 P50281 1/20 0.52
MMP15 P51511 1/20 0.52
MMP16 P51512 1/20 0.52
ADAM17 P78536 1/20 0.52

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
SCHEMBL2184049 0.83 ERAP2 (0.58) IL1RNERAP2ERAP1MMP2MMP9
SCHEMBL2194704 0.83 IL1RN (0.55) KISS1RIL1RNERAP2ERAP1ECE1
SCHEMBL11663890 0.82 CCKBR (0.51) KISS1RIL1RNERAP2ERAP1
SCHEMBL31696723 0.82 ACE (0.60) KISS1RERAP2ECE1
SCHEMBL2193237 0.81 GHSR (0.61) MMP2MMP9MMP8MMP1
SCHEMBL9822631 0.81 ECE1 (0.70) IL1RNERAP2ERAP1MMP2MMP9
SCHEMBL4959976 0.81 ERAP2 (0.75) IL1RNERAP2ERAP1ECE1
SCHEMBL4959992 0.81 ERAP2 (0.75) IL1RNERAP2ERAP1ECE1
SCHEMBL30051783 0.81 ECE1 (0.70) IL1RNERAP2ERAP1MMP2MMP9
SCHEMBL3979342 0.81 ERAP2 (0.62) KISS1RIL1RNERAP2ERAP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9682153-B2 Polymer conjugates of therapeutic peptides NEKTAR THERAPEUTICS (US) 2017-06-20 US disclosed
US-20160022828-A1 POLYMER CONJUGATES OF THERAPEUTIC PEPTIDES NEKTAR THERAPEUTICS 2016-01-28 US disclosed
US-20110171312-A1 MODIFIED THERAPEUTIC PEPTIDES, METHODS OF THEIR PREPARATION AND USE 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 (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-20160022828-A1 POLYMER CONJUGATES OF THERAPEUTIC PEPTIDES NGLY1, CD44, IAPP KISS1R 1433/4885IL1RN 546/4885ERAP2 638/4885
US-20110171312-A1 MODIFIED THERAPEUTIC PEPTIDES, METHODS OF THEIR PREPARATION AND USE DNPEP, VIP, PTMS KISS1R 1880/4885IL1RN 323/4885ERAP2 697/4885

“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.