SCHEMBL2890189

SCHEMBL2890189

Cc1cc(C)c(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.53
PPARA Q07869 7/20 0.48
PPARG P37231 6/20 0.48
ITGB3 P05106 2/20 0.47
ITGA2B P08514 2/20 0.47
CTSS P25774 4/20 0.46
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PPARD Q03181 2/20 0.44
PTPN1 P18031 1/20 0.43
CTSK P43235 2/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
SCN9A Q15858 1/20 0.43
ITGB1 P05556 1/20 0.42
ITGAV P06756 1/20 0.42
ITGB5 P18084 1/20 0.42
IDO1 P14902 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 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
SCHEMBL10604860 1.00 ACE (0.53) ACEPPARAPPARGITGB3ITGA2B
SCHEMBL10632464 0.92 ACE (0.49) ACEPPARAPPARGITGB3ITGA2B
SCHEMBL10632461 0.92 ACE (0.49) ACEPPARAPPARGITGB3ITGA2B
SCHEMBL1055585 0.90 ACE (0.52) ACEPPARAPPARGITGB3ITGA2B
SCHEMBL2263756 0.90 ACE (0.52) ACEPPARAPPARGITGB3ITGA2B
SCHEMBL21062787 0.88 ACE (0.50) ACEPPARAPPARGITGB3ITGA2B
SCHEMBL9728451 0.88 ACE (0.50) ACEPPARAPPARGITGB3ITGA2B
SCHEMBL1055857 0.87 ACE (0.49) ACEPPARAPPARGITGB3ITGA2B
SCHEMBL1055858 0.87 ACE (0.49) ACEPPARAPPARGITGB3ITGA2B
SCHEMBL10477404 0.86 ACE (0.56) ACEPPARAPPARGITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200361987-A1 DEUTERATED TETRAPEPTIDES THAT TARGET MITOCHONDRIA STEALTH BIOTHERAPEUTICS INC. 2020-11-19 US disclosed
US-9982014-B2 Tetrapeptide compound and method for producing same KANEKA CORPORATION (JP) 2018-05-29 US disclosed
US-20160264623-A1 TETRAPEPTIDE COMPOUND AND METHOD FOR PRODUCING SAME STEALTH BIOTHERAPEUTICS INC. 2016-09-15 US disclosed
US-7727991-B2 Substituted melanocortin receptor-specific single acyl piperazine compounds PALATIN TECHNOLOGIES, INC. (US) 2010-06-01 US disclosed
US-20060287330-A1 Substituted Melanocortin Receptor-Specific Single Acyl Piperazine Compounds PALATIN TECHNOLOGIES, INC. (US) 2006-12-21 US disclosed
US-5216124-A Analgesics G. D. SEARLE & CO. (US) 1993-06-01 US disclosed
EP-0136720-B1 ENKEPHALIN ANALOGS G.D. Searle & Co. (US) 1989-09-20 EP disclosed
US-4760180-A N-terminally substituted dipeptide amides G. D. SEARLE & CO. (US) 1988-07-26 US disclosed
US-4722922-A RENIN INHIBITION G. D. SEARLE & CO. (US) 1988-02-02 US disclosed
EP-0213481-A2 N-terminally substituted dipeptide amides No. 2 G.D. Searle & Co. (US) 1987-03-11 EP disclosed
US-4603121-A ANALGESICS G. D. SEARLE & CO. (US) 1986-07-29 US disclosed
EP-0136720-A2 Enkephalin analogs G.D. Searle & Co. (US) 1985-04-10 EP disclosed
US-4495178-A Enkephalin analogs G. D. SEARLE & CO. (US) 1985-01-22 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 (3 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-20060287330-A1 Substituted Melanocortin Receptor-Specific Single Acyl Piperazine Compounds MC4R, MC5R, MC3R ACE 4337/4885PPARA 241/4885PPARG 205/4885
US-20160264623-A1 TETRAPEPTIDE COMPOUND AND METHOD FOR PRODUCING SAME VIP, DNPEP, PEPD ACE 537/4885PPARA 3757/4885PPARG 4293/4885
US-20200361987-A1 DEUTERATED TETRAPEPTIDES THAT TARGET MITOCHONDRIA ABAT, SSBP1, PDF ACE 3998/4885PPARA 1266/4885PPARG 1347/4885

“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.