SCHEMBL26545880

SCHEMBL26545880

COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](C)OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.50
▸ AR P10275 1/20 0.50
▸ PELP1 Q8IZL8 1/20 0.50
▸ VCAM1 P19320 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.46
▸ PKM P14618 2/20 0.46
▸ AKR1C4 P17516 1/20 0.46
▸ AKR1C3 P42330 1/20 0.46
▸ AKR1C2 P52895 1/20 0.46
▸ AKR1C1 Q04828 1/20 0.46
▸ HTT P42858 2/20 0.46
▸ LMNA P02545 3/20 0.46
▸ POLB P06746 1/20 0.45
▸ MAPT P10636 4/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ PTGER4 P35408 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ CRHBP P24387 1/20 0.44
▸ CRHR2 Q13324 1/20 0.44
▸ CYP1A2 P05177 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
SCHEMBL30550394 1.00 KMT2A (0.50) KMT2AARPELP1VCAM1ALDH1A1
SCHEMBL25373263 0.90 HCAR3 (0.54) KMT2ALMNAMAPTHCAR3
SCHEMBL26541099 0.90 ALDH1A1 (0.44) KMT2AARPELP1ALDH1A1AKR1C3
SCHEMBL25373265 0.90 HCAR3 (0.54) KMT2ALMNAMAPTHCAR3
SCHEMBL1528372 0.90 AR (0.55) KMT2AARPELP1VCAM1ALDH1A1
SCHEMBL30742663 0.89 AR (0.47) KMT2AARPELP1VCAM1ALDH1A1
SCHEMBL27478687 0.89 AR (0.47) KMT2AARPELP1VCAM1ALDH1A1
SCHEMBL31509294 0.89 AR (0.47) KMT2AARPELP1VCAM1ALDH1A1
SCHEMBL31143248 0.84 KMT2A (0.52) KMT2AARPELP1VCAM1ALDH1A1
SCHEMBL2019450 0.83 HCAR3 (0.58) KMT2AARPELP1VCAM1ALDH1A1

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-20230322758-A1 COMPOUNDS AS GLP-1R AGONISTS TERNS PHARMACEUTICALS, INC. 2023-10-12 — — 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-20230322758-A1 COMPOUNDS AS GLP-1R AGONISTS GLP1R, GIPR, GCGR KMT2A 4554/4885AR 853/4885PELP1 869/4885

“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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