SCHEMBL599740

SCHEMBL599740

CCC=CC[C@](C)(N)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GGT1 P19440 1/20 0.41
ARG1 P05089 1/20 0.37
ARG2 P78540 1/20 0.37
ALDH1A1 P00352 7/20 0.36
CYP19A1 P11511 4/20 0.36
MAPT P10636 4/20 0.36
PPARG P37231 3/20 0.36
OXER1 Q8TDS5 3/20 0.36
RXRA P19793 2/20 0.36
FFAR1 O14842 2/20 0.36
BLM P54132 3/20 0.36
GRIK1 P39086 2/20 0.35
GRIK2 Q13002 2/20 0.35
KMT2A Q03164 4/20 0.34
F7 P08709 3/20 0.34
F3 P13726 3/20 0.34
PPARA Q07869 3/20 0.34
PTGS1 P23219 2/20 0.34
PPARD Q03181 2/20 0.34
ADORA3 P0DMS8 1/20 0.34

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
SCHEMBL623306 1.00 GGT1 (0.41) GGT1ARG1ARG2ALDH1A1CYP19A1
SCHEMBL5839964 0.83 GGT1 (0.41) GGT1ARG1ARG2ALDH1A1MAPT
SCHEMBL5839956 0.83 GGT1 (0.41) GGT1ARG1ARG2ALDH1A1MAPT
SCHEMBL6380325 0.79 GGT1 (0.42) GGT1ARG1ARG2ALDH1A1MAPT
SCHEMBL5839453 0.79 GGT1 (0.42) GGT1ARG1ARG2ALDH1A1MAPT
SCHEMBL6380315 0.79 GGT1 (0.42) GGT1ARG1ARG2ALDH1A1MAPT
SCHEMBL5839448 0.79 GGT1 (0.42) GGT1ARG1ARG2ALDH1A1MAPT
SCHEMBL622530 0.79 PPARG (0.50) ALDH1A1CYP19A1MAPTPPARGFFAR1
SCHEMBL600895 0.79 PPARG (0.50) ALDH1A1CYP19A1MAPTPPARGFFAR1
SCHEMBL2481158 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10774114-B2 Respiratory syncytial virus (RSV) replication inhibitors FONDATION THE ARK (CH) 2020-09-15 US disclosed
US-20170152292-A1 RESPIRATORY SYNCYTIAL VIRUS (RSV) REPLICATION INHIBITORS INSTITUT NATIONAL DE RECHERCHE AGRONOMIQUE (INRA) (FR) 2017-06-01 US disclosed
US-9175047-B2 Peptidomimetic macrocycles AILERON THERAPEUTICS, INC. (US) 2015-11-03 US disclosed
US-8324153-B2 Antiviral cell-penetrating peptides NEW YORK BLOOD CENTER, INC. (US) 2012-12-04 US disclosed
US-20120101047-A1 PEPTIDOMIMETIC MACROCYCLES Aileron Therapetics Inc. (US) 2012-04-26 US disclosed
US-20120040889-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS INC. (US) 2012-02-16 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 (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-20120101047-A1 PEPTIDOMIMETIC MACROCYCLES GLP1R, PROKR1, VIP GGT1 2156/4885ARG1 204/4885ARG2 121/4885
US-20120040889-A1 PEPTIDOMIMETIC MACROCYCLES ZC3HAV1, HAVCR2, ZC3HAV1L GGT1 3065/4885ARG1 355/4885ARG2 422/4885

“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.