SCHEMBL7167733

SCHEMBL7167733

Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccc3c(c2)NC(=O)C(CC(=O)Nc2ncc[nH]2)O3)C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TP53 P04637 2/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
THRB P10828 1/20 0.44
HSD17B10 Q99714 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL7163732 0.93 TSHR (0.41) TSHRMEN1KMT2ATP53THRB
SCHEMBL7365336 0.91 TSHR (0.43) TSHRMEN1KMT2ATP53POLB
SCHEMBL7160997 0.89 ITGB3 (0.41) TSHRMEN1KMT2ATP53THRB
SCHEMBL4685325 0.86 TSHR (0.38) TSHRMEN1KMT2ATP53POLB
SCHEMBL7159632 0.86 ITGB3 (0.40)
SCHEMBL7167848 0.86 ITGB3 (0.49) TSHRMEN1KMT2ATP53POLB
SCHEMBL7369546 0.86 THRB (0.39) TSHRMEN1KMT2ATP53THRB
SCHEMBL7159785 0.85 ITGB3 (0.42) TSHRMEN1KMT2ATP53POLB
SCHEMBL7164935 0.85 THRB (0.41) TSHRMEN1KMT2ATP53THRB
SCHEMBL7163736 0.85 TDP1 (0.53) TSHRMEN1KMT2ATP53POLB

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-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
EP-0964856-B1 BICYCLIC AMINO ACIDS MERCK PATENT GMBH (DE) 2002-10-09 EP disclosed
US-20010021709-A1 Bicyclic amino acids MERCK PATENT GESELLSCHAFT MIT BESCHRANKT PATENTS (DE) 2001-09-13 US disclosed
EP-0964856-A1 BICYCLIC AMINO ACIDS MERCK PATENT GmbH (DE) 1999-12-22 EP disclosed
WO-1998035949-A1 BICYCLIC AMINO ACIDS MERCK PATENT GMBH (DE) 1998-08-20 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-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.