SCHEMBL5492058

SCHEMBL5492058

CC(C)(C)OC(=O)N1C[C@H](SC(c2ccccc2)(c2ccccc2)c2ccccc2)C[C@H]1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTRA1 Q92743 1/20 0.41
UCHL1 P09936 3/20 0.39
AGTR2 P50052 2/20 0.38
RORC P51449 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD11B1 P28845 1/20 0.38
ACE P12821 1/20 0.38
KMT2A Q03164 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 2/20 0.36
ABCB1 P08183 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35

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
SCHEMBL5401096 0.90 NR1H2 (0.42) HTRA1UCHL1RORCCYP1A2POLB
SCHEMBL7138214 0.86 UCHL1 (0.44) HTRA1UCHL1RORCCYP1A2POLB
SCHEMBL9035380 0.84 AGTR2 (0.43) AGTR2ACEKMT2A
SCHEMBL9034394 0.84 AGTR2 (0.43) AGTR2ACEKMT2A
SCHEMBL9034390 0.84 AGTR2 (0.43) AGTR2ACEKMT2A
SCHEMBL8390205 0.83 GPR119 (0.39) HTRA1UCHL1RORCHSD11B1KMT2A
SCHEMBL8201900 0.83 GPR119 (0.39) HTRA1UCHL1RORCHSD11B1KMT2A
SCHEMBL8211858 0.83 GPR119 (0.39) HTRA1UCHL1RORCHSD11B1KMT2A
SCHEMBL8789793 0.83 SRC (0.46) RORCKMT2ANR1H2NR1H3ABCB1
SCHEMBL5404919 0.83 SRC (0.46) RORCKMT2ANR1H2NR1H3ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159622-A1 COLLAGEN MIMICS WISCONSIN ALUMNI RESEARCH FOUNDATION 2023-05-25 US disclosed
US-11390662-B2 Collagen mimics WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2022-07-19 US disclosed
US-10329341-B2 Collagen mimics WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2019-06-25 US disclosed
US-20180030115-A1 COLLAGEN MIMICS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-02-01 US disclosed
US-9758569-B2 Collagen mimics WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2017-09-12 US disclosed
US-20070275897-A1 Collagen mimics NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-11-29 US disclosed
EP-1303485-A1 PYRROLIDINE DERIVATIVES AS INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP disclosed
US-6541638-B2 (2S,4S)-1-(4-Mercapto-1-(naphthalene-2-sulfonyl)-pyrrolidine-2 -carbonyl)-piperidine-4-carboxylic acid ethyl ester for example; zinc protease inhibitors; for treating diseases associated with vasoconstriction HOFFMAN-LA ROCHE INC. 2003-04-01 US disclosed
US-20020049243-A1 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. 2002-04-25 US disclosed
WO-2002006222-A1 PYRROLIDINE DERIVATIVES AS INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME F. HOFFMANN-LA ROCHE AG (CH) 2002-01-24 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-20020049243-A1 Pyrrolidine derivatives PREP, PEPD, DNPEP HTRA1 477/4885UCHL1 343/4885AGTR2 759/4885

“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.