SCHEMBL781438

SCHEMBL781438

COC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CON

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 6/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ HCRTR1 O43613 1/20 0.54
▸ MAPT P10636 2/20 0.53
▸ TP53 P04637 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ IL1RN P18510 2/20 0.50
▸ ERAP2 Q6P179 2/20 0.50
▸ NPBWR1 P48145 1/20 0.49
▸ MCHR1 Q99705 1/20 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
SCHEMBL13599555 1.00 MC4R (0.54) MC4RKMT2AMEN1HCRTR1MAPT
SCHEMBL17820857 0.93 MC4R (0.57) MC4R
SCHEMBL17827361 0.93 MC4R (0.57) MC4R
SCHEMBL17827250 0.92 MC4R (0.55) MC4R
SCHEMBL13599541 0.90 MC4R (0.56) MC4RKMT2AMEN1HCRTR1MAPT
SCHEMBL19444239 0.90 MEN1 (0.57) KMT2AMEN1HCRTR1MAPTTP53
SCHEMBL13901677 0.89 MC4R (0.56) MC4RNPBWR1
SCHEMBL13901682 0.88 MC4R (0.57) MC4R
SCHEMBL13599554 0.88 CTSL (0.51) MC4RKMT2AMEN1HCRTR1MAPT
SCHEMBL13599544 0.88 MC4R (0.51) MC4RKMT2AMEN1HCRTR1IL1RN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015033743-A1 METHOD FOR PREPARING LABELED SUGAR CHAIN SAMPLE 住友ベークライト株式会社 (JP) 2015-03-12 — — WO claimed
US-20110089033-A1 METHOD OF PREPARING SUGAR CHAIN SAMPLE, SUGAR CHAIN SAMPLE, AND METHOD OF ANALYZING SUGAR CHAIN SUMITOMO BAKELITE CO., LTD. (JP) 2011-04-21 — — US claimed
EP-2295962-A1 METHOD FOR PREPARATION OF SUGAR CHAIN SAMPLE, SUGAR CHAIN SAMPLE, AND METHOD FOR ANALYSIS OF SUGAR CHAIN Sumitomo Bakelite Co., Ltd. (JP) 2011-03-16 — — EP claimed
WO-2009150834-A1 METHOD FOR PREPARATION OF SUGAR CHAIN SAMPLE, SUGAR CHAIN SAMPLE, AND METHOD FOR ANALYSIS OF SUGAR CHAIN 住友ベークライト株式会社 (JP) 2009-12-17 — — WO claimed
EP-3034495-A1 COMPOUND FOR LABELLING SUGAR CHAIN SAMPLE Sumitomo Bakelite Co.,Ltd. (JP) 2016-06-22 — — EP disclosed
US-20160168196-A1 COMPOUND FOR LABELING SUGAR CHAIN SAMPLE SUMITOMO BAKELITE CO., LTD. (JP) 2016-06-16 — — US disclosed
WO-2015033743-A1 METHOD FOR PREPARING LABELED SUGAR CHAIN SAMPLE 住友ベークライト株式会社 (JP) 2015-03-12 — — WO disclosed
US-20120070902-A1 METHOD FOR ANALYSIS OF SUGAR CHAINS BY MASS SPECTROMETRY SUMITOMO BAKELITE CO., LTD. (JP) 2012-03-22 — — US disclosed
US-20110089033-A1 METHOD OF PREPARING SUGAR CHAIN SAMPLE, SUGAR CHAIN SAMPLE, AND METHOD OF ANALYZING SUGAR CHAIN SUMITOMO BAKELITE CO., LTD. (JP) 2011-04-21 — — US disclosed
EP-2295962-A1 METHOD FOR PREPARATION OF SUGAR CHAIN SAMPLE, SUGAR CHAIN SAMPLE, AND METHOD FOR ANALYSIS OF SUGAR CHAIN Sumitomo Bakelite Co., Ltd. (JP) 2011-03-16 — — EP disclosed
WO-2009150834-A1 METHOD FOR PREPARATION OF SUGAR CHAIN SAMPLE, SUGAR CHAIN SAMPLE, AND METHOD FOR ANALYSIS OF SUGAR CHAIN 住友ベークライト株式会社 (JP) 2009-12-17 — — WO 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-20160168196-A1 COMPOUND FOR LABELING SUGAR CHAIN SAMPLE SLC2A4, SLC2A2, SLC2A1 MC4R 601/4885KMT2A 1645/4885MEN1 1799/4885

“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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