SCHEMBL16772154

SCHEMBL16772154

CCC(C)C(NC(=O)C(Cc1ccccc1)NC(=O)C(CCC(=O)O)NC(=O)C(CS)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CCC(N)=O)NC(=O)C(CS)NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(C)=O)C(=O)NC(CCC(N)=O)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(C)C)C(=O)NC(CCSC)C(=O)NC(CC(N)=O)C(=O)NC(C(N)=O)C(C)O

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ IL23R Q5VWK5 5/20 0.61
▸ KISS1R Q969F8 8/20 0.57
▸ EDNRA P25101 1/20 0.55
▸ RXFP1 Q9HBX9 1/20 0.55
▸ GLP1R P43220 1/20 0.55
▸ GCGR P47871 1/20 0.55
▸ GIPR P48546 1/20 0.55
▸ MAGI3 Q5TCQ9 1/20 0.54
▸ PTH1R Q03431 1/20 0.53
▸ CCKBR P32239 2/20 0.53

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
SCHEMBL31199030 0.89 CXCL8 (0.57) IL23RKISS1RCCKBR
SCHEMBL29850431 0.84 GLP1R (0.64) KISS1RRXFP1GLP1RPTH1R
SCHEMBL30721593 0.84 MAGI3 (0.58) IL23RKISS1REDNRARXFP1MAGI3
SCHEMBL29377904 0.84 RXFP1 (0.57) IL23REDNRARXFP1GLP1RGCGR
SCHEMBL21305550 0.84 RXFP1 (0.57) IL23REDNRARXFP1GLP1RGCGR
SCHEMBL31331962 0.83 GLP1R (0.57) GLP1RPTH1R
SCHEMBL1651126 0.83 GLP1R (0.70) IL23RKISS1RGLP1RCCKBR
SCHEMBL29406053 0.83 GLP1R (0.70) IL23RKISS1RGLP1RCCKBR
SCHEMBL29393291 0.83 GLP1R (0.69) IL23RKISS1RRXFP1GLP1RGCGR
SCHEMBL4592217 0.83 IL23R (0.62) IL23RRXFP1GLP1RGCGRGIPR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10667935-B2 Methods for making conjugates from disulfide-containing proteins NOVARTIS AG (CH) 2020-06-02 — — US disclosed
US-20190038444-A1 METHODS FOR MAKING CONJUGATES FROM DISULFIDE-CONTAINING PROTEINS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2019-02-07 — — US disclosed
US-10172948-B2 Methods for oxime conjugation to ketone-modified polypeptides NOVARTIS AG (CH) 2019-01-08 — — US disclosed
US-10022256-B2 Methods for making conjugates from disulfide-containing proteins NOVARTIS AG (CH) 2018-07-17 — — US disclosed
US-20150150998-A1 METHODS FOR OXIME CONJUGATION TO KETONE-MODIFIED POLYPEPTIDES NOVARTIS AG (CH) 2015-06-04 — — 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 (4 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-20190038444-A1 METHODS FOR MAKING CONJUGATES FROM DISULFIDE-CONTAINING PROTEINS PDIA6, PTMS, PDIA3 IL23R 3388/4885KISS1R 1080/4885EDNRA 4243/4885
US-20150150998-A1 METHODS FOR OXIME CONJUGATION TO KETONE-MODIFIED POLYPEPTIDES PTMS, CRYAA, KRTCAP2 IL23R 3529/4885KISS1R 725/4885EDNRA 3377/4885
US-10667935-B2 Methods for making conjugates from disulfide-containing proteins PDIA6, PTMS, PDIA3 IL23R 3388/4885KISS1R 1080/4885EDNRA 4243/4885
US-10172948-B2 Methods for oxime conjugation to ketone-modified polypeptides PTMS, CRYAA, KRTCAP2 IL23R 3529/4885KISS1R 725/4885EDNRA 3377/4885

“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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