SCHEMBL7164256

SCHEMBL7164256

N[C@@H](Cc1ccc2c(c1)NC(=O)C(CC(=O)Nc1ncc[nH]1)O2)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 1/20 0.43
THRB P10828 1/20 0.43
HSD17B10 Q99714 4/20 0.42
TP53 P04637 2/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL7167913 0.91 TSHR (0.36) TSHRMEN1KMT2AALDH1A1THRB
SCHEMBL7365578 0.89 THRB (0.42) TSHRMEN1KMT2AALDH1A1THRB
SCHEMBL7163732 0.84 TSHR (0.41) TSHRMEN1KMT2AALDH1A1THRB
SCHEMBL7164935 0.83 THRB (0.41) TSHRMEN1KMT2AALDH1A1THRB
SCHEMBL7165197 0.83 ALDH1A1 (0.44) TSHRMEN1KMT2AALDH1A1THRB
SCHEMBL7167733 0.82 TSHR (0.49) TSHRMEN1KMT2AALDH1A1THRB
SCHEMBL4681020 0.81 TSHR (0.38) TSHRMEN1KMT2AALDH1A1THRB
Hydrochloric Acid SCHEMBL4849422 0.81 TSHR (0.37) TSHRMEN1KMT2AALDH1A1THRB
SCHEMBL7160997 0.80 ITGB3 (0.41) TSHRMEN1KMT2ATHRBHSD17B10
SCHEMBL14143487 0.79 TSHR (0.36) TSHRMEN1KMT2AALDH1A1THRB

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-6559144-B2 Integrin inhibitors used to treat circulatory disorders, for thrombosis, myocardial infarct, coronary heart disease, arteriosclerosis, osteoporosis, pathological processes maintained or propagated by angiogenesis and tumor therapy MERCK PATENT GESELLSCHAFT MIT (DE) 2003-05-06 US disclosed
US-20010021709-A1 Bicyclic amino acids MERCK PATENT GESELLSCHAFT MIT BESCHRANKT PATENTS (DE) 2001-09-13 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-20010021709-A1 Bicyclic amino acids ITGA1, ITGB1, ITGB2 TSHR 622/4885MEN1 2139/4885KMT2A 1710/4885

“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.