SCHEMBL12968535

SCHEMBL12968535

COC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCC(=O)O)NC(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ TSHR P16473 1/20 0.60
▸ ACE P12821 4/20 0.56
▸ DPP4 P27487 2/20 0.52
▸ DPP8 Q6V1X1 2/20 0.52
▸ FKBP1A P62942 3/20 0.52
▸ PREP P48147 3/20 0.52
▸ REN P00797 1/20 0.49
▸ DPP7 Q9UHL4 1/20 0.48
▸ ACE2 Q9BYF1 2/20 0.47
▸ ITGB3 P05106 1/20 0.47
▸ ITGA2B P08514 1/20 0.47
▸ CMA1 P23946 1/20 0.47
▸ CTRC Q99895 1/20 0.47
▸ KLK5 Q9Y337 1/20 0.47

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
SCHEMBL18620591 0.89 ACE (0.64) ALDH1A1CYP3A4TSHRACEFKBP1A
SCHEMBL7303514 0.89 ACE (0.64) ALDH1A1CYP3A4TSHRACEFKBP1A
SCHEMBL2499034 0.87 ALDH1A1 (0.61) ALDH1A1CYP3A4TSHRACEFKBP1A
SCHEMBL38652097 0.87 CMA1 (0.56) ACEFKBP1AITGB3ITGA2BCMA1
SCHEMBL29880727 0.86 ALDH1A1 (0.60) ALDH1A1CYP3A4TSHRACEDPP4
SCHEMBL8198229 0.85 PREP (0.70) ALDH1A1CYP3A4TSHRACEFKBP1A
SCHEMBL22209424 0.85 PREP (0.70) ALDH1A1CYP3A4TSHRACEFKBP1A
SCHEMBL30051892 0.85 PREP (0.70) ALDH1A1CYP3A4TSHRACEFKBP1A
SCHEMBL7305929 0.85 PREP (0.70) ALDH1A1CYP3A4TSHRACEFKBP1A
SCHEMBL31473142 0.85 ALDH1A1 (0.58) ALDH1A1CYP3A4TSHRACEDPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655399-B1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, THEIR PREPARATION AND USE AS SELECTIVE INHIBITORS OF THE CLOTTING FACTORS IIA AND XA THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2017-09-27 — — EP disclosed
US-8497245-B2 Trypsin-like serine protease inhibitors, their preparation and use as selective inhibitors of the clotting factors IIa and Xa THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2013-07-30 — — US disclosed
US-20120252743-A1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, THEIR PREPARATION AND USE AS SELECTIVE INHIBITORS OF THE CLOTTING FACTORS IIA AND XA THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2012-10-04 — — 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 (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-20120252743-A1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, THEIR PREPARATION AND USE AS SELECTIVE INHIBITORS OF THE CLOTTING FACTORS IIA AND XA F2, F12, SERPINC1 ALDH1A1 3812/4885CYP3A4 746/4885TSHR 1086/4885

“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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