SCHEMBL700092

SCHEMBL700092

COC(=O)[C@@H]1C[C@@H](Sc2ccccc2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.44
NR1H3 Q13133 2/20 0.44
ACE P12821 1/20 0.43
KMT2A Q03164 1/20 0.43
HTRA1 Q92743 1/20 0.42
MMP2 P08253 2/20 0.42
PTPN1 P18031 1/20 0.41
CTSS P25774 1/20 0.40
UCHL1 P09936 1/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
GPR119 Q8TDV5 1/20 0.37
KLK5 Q9Y337 1/20 0.37

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
SCHEMBL6847598 1.00 NR1H2 (0.44) NR1H2NR1H3ACEKMT2AHTRA1
SCHEMBL6847765 1.00 NR1H2 (0.44) NR1H2NR1H3ACEKMT2AHTRA1
SCHEMBL2059282 0.89 CYP1A2 (0.46) NR1H2NR1H3KMT2AHTRA1MMP2
SCHEMBL12589789 0.89 CYP1A2 (0.46) NR1H2NR1H3KMT2AHTRA1MMP2
SCHEMBL6842749 0.89 CYP1A2 (0.46) NR1H2NR1H3KMT2AHTRA1MMP2
SCHEMBL9542869 0.89 ACE (0.54) ACEKMT2AHTRA1CTSSUCHL1
SCHEMBL8642743 0.89 ACE (0.54) ACEKMT2AHTRA1CTSSUCHL1
SCHEMBL7380297 0.89 ACE (0.54) ACEKMT2AHTRA1CTSSUCHL1
SCHEMBL3194307 0.89 ACE (0.54) ACEKMT2AHTRA1CTSSUCHL1
SCHEMBL6847724 0.89 ACE (0.54) ACEKMT2AHTRA1CTSSUCHL1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9969770-B2 Proline compounds as Granzyme B inhibitors VIDA THERAPEUTICS INC. (CA) 2018-05-15 US disclosed
US-20170015706-A1 PROLINE COMPOUNDS AS GRANZYME B INHIBITORS VIDA THERAPEUTICS INC. (CA) 2017-01-19 US disclosed
US-9458193-B1 Proline compounds as Granzyme B inhibitors VIDA THERAPEUTICS INC. (CA) 2016-10-04 US disclosed
EP-2421826-B1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS HOFFMANN LA ROCHE (CH) 2013-10-23 EP disclosed
US-8163793-B2 Proline derivatives HOFFMAN-LA ROCHE INC. (US) 2012-04-24 US disclosed
EP-2421826-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-02-29 EP disclosed
WO-2010121918-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO disclosed
US-20100267722-A1 NOVEL PROLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-10-21 US disclosed
US-6770741-B1 USEFUL IN TREATING CONDITIONS AND DISEASES OF A MAMMAL AND HUMAN IN WHICH AN EXCESS OF BRADYKININ OR RELATED KININS ARE PRODUCED OR INJECTED SUCH AS BY INSECT BITES SCIOS INC. 2004-08-03 US disclosed
US-6288036-B1 ANTIINFLAMMATORY, ANTIASTHMATIC, ANTIALLERGEN, AND ANALGESIC AGENTS; ARGININE-CONTAINING NONA- OR DECAPEPTIDES SCIOS INC. 2001-09-11 US disclosed
EP-0618809-B1 BRADYKININ TYPE PEPTIDES SCIOS NOVA INC (US) 1998-08-19 EP disclosed
US-5543496-A NONAPEPTIDE; ANTIINFLAMMATORY AGENTS, ANALGESICS SCIOS NOVA INC. (US) 1996-08-06 US disclosed
US-5385889-A Substitution of L-proline at the 7-position of the peptide hormone with a D-configuration hydroxyproline ether or thioether converts agonist into antagonist SCIOS NOVA INC. (US) 1995-01-31 US disclosed
EP-0618810-A4 BRADYKININ ANTAGONIST PEPTIDES. SCIOS NOVA INC (US) 1994-12-07 EP disclosed
EP-0618810-A1 BRADYKININ ANTAGONIST PEPTIDES SCIOS NOVA INC. (US) 1994-10-12 EP disclosed
EP-0618809-A1 BRADYKININ TYPE PEPTIDES SCIOS NOVA INC. (US) 1994-10-12 EP disclosed
WO-1994019372-A1 CYCLIC BRADYKININ ANTAGONIST PEPTIDES SCIOS NOVA INC. (US) 1994-09-01 WO disclosed
EP-0618809-A4 BRADYKININ TYPE PEPTIDES. SCIOS NOVA INC (US) 1994-07-28 EP disclosed
WO-1992018156-A1 BRADYKININ ANTAGONIST PEPTIDES NOVA TECHNOLOGY LIMITED PARTNERSHIP (US) 1992-10-29 WO disclosed
WO-1992018155-A1 BRADYKININ TYPE PEPTIDES NOVA TECHNOLOGY LIMITED PARTNERSHIP (US) 1992-10-29 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 (2 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-20100267722-A1 NOVEL PROLINE DERIVATIVES PRAP1, PRR12, SLC6A7 NR1H2 1251/4885NR1H3 1203/4885ACE 531/4885
US-20170015706-A1 PROLINE COMPOUNDS AS GRANZYME B INHIBITORS GZMB, CTSB, RNPEP NR1H2 3973/4885NR1H3 4371/4885ACE 1946/4885

“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.