SCHEMBL8510050

SCHEMBL8510050

CC(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MME P08473 10/20 0.69
ACE P12821 6/20 0.67
CPA1 P15085 6/20 0.67
ACE2 Q9BYF1 6/20 0.67
MMP2 P08253 1/20 0.60
MMP7 P09237 1/20 0.60
MMP9 P14780 1/20 0.60
MMP12 P39900 1/20 0.60
MMP13 P45452 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.59

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
SCHEMBL8510053 1.00 MME (0.69) MMEACECPA1ACE2MMP2
SCHEMBL12864507 1.00 MME (0.69) MMEACECPA1ACE2MMP2
SCHEMBL7901163 0.92 MME (0.78) MMEACECPA1ACE2
SCHEMBL15692372 0.91 MME (0.67) MMEACECPA1ACE2MMP2
SCHEMBL15649671 0.91 MME (0.67) MMEACECPA1ACE2MMP2
SCHEMBL23361048 0.88 MME (0.67) MMEACECPA1ACE2MMP2
SCHEMBL11341642 0.88 MME (0.67) MMEACECPA1ACE2MMP2
SCHEMBL11341637 0.88 MME (0.67) MMEACECPA1ACE2MMP2
SCHEMBL6380775 0.88 MME (0.67) MMEACECPA1ACE2MMP2
SCHEMBL12781768 0.88 MME (0.67) MMEACECPA1ACE2MMP2

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
US-20190135810-A1 PROCESSES FOR THE PREPARATION OF SUBSTITUTED TETRAHYDRO BETA-CARBOLINES PTC THERAPEUTICS INC (US) 2019-05-09 US claimed
US-20120136154-A1 PROCESSES FOR THE PREPARATION OF SUBSTITUTED TETRAHYDRO BETA-CARBOLINES PTC THERAPEUTICS, INC. 2012-05-31 US claimed
US-10947231-B2 Processes for the preparation of substituted tetrahydro beta-carbolines PTC THERAPEUTICS, INC. (US) 2021-03-16 US disclosed
US-20190135810-A1 PROCESSES FOR THE PREPARATION OF SUBSTITUTED TETRAHYDRO BETA-CARBOLINES PTC THERAPEUTICS INC (US) 2019-05-09 US disclosed
US-8993780-B2 Amide derivatives of N-urea substituted amino acids as formyl peptide receptor like-1 (FPRL-1) receptor modulators ALLERGAN, INC. (US) 2015-03-31 US disclosed
US-20120136154-A1 PROCESSES FOR THE PREPARATION OF SUBSTITUTED TETRAHYDRO BETA-CARBOLINES PTC THERAPEUTICS, INC. 2012-05-31 US disclosed
US-20080146811-A1 Compounds and Methods For Treatment of Thrombosis DAIICHI ASUBIO MEDICAL RESEARCH LABORATORIES LLC 2008-06-19 US disclosed
WO-1996000391-A1 METHODS FOR THE SYNTHESIS OF DIKETOPIPERAZINES AFFYMAX TECHNOLOGIES N.V. (AN) 1996-01-04 WO disclosed
EP-0178911-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1992-01-22 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0178911-A2 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1986-04-23 EP 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 (4 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-20080146811-A1 Compounds and Methods For Treatment of Thrombosis F2, SERPINC1, PLAT MME 1509/4885ACE 343/4885CPA1 1153/4885
US-10947231-B2 Processes for the preparation of substituted tetrahydro beta-carbolines TPH1, TPH2, HTR1B MME 3865/4885ACE 1976/4885CPA1 2118/4885
US-20120136154-A1 PROCESSES FOR THE PREPARATION OF SUBSTITUTED TETRAHYDRO BETA-CARBOLINES TPH1, TPH2, HTR1B MME 3874/4885ACE 1877/4885CPA1 2155/4885
US-20190135810-A1 PROCESSES FOR THE PREPARATION OF SUBSTITUTED TETRAHYDRO BETA-CARBOLINES TPH1, TPH2, HTR1B MME 3865/4885ACE 1976/4885CPA1 2118/4885

“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.