SCHEMBL626641

SCHEMBL626641

NOC(=O)[C@@H](N)Cc1cccc(F)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 2/20 0.56
ROCK2 O75116 1/20 0.51
IDO1 P14902 2/20 0.49
AGXT P21549 2/20 0.49
DPP4 P27487 3/20 0.47
DPP7 Q9UHL4 2/20 0.47
DPP8 Q6V1X1 1/20 0.47
DPP9 Q86TI2 1/20 0.47
PPARG P37231 2/20 0.46
PPARA Q07869 2/20 0.46
HCAR2 Q8TDS4 1/20 0.44
ROCK1 Q13464 1/20 0.44
SLC7A5 Q01650 3/20 0.44
MAOB P27338 2/20 0.43
PARP10 Q53GL7 1/20 0.43

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
SCHEMBL75362 0.86 SLC1A1 (0.55) SLC1A1ROCK2DPP4DPP7DPP8
SCHEMBL5739966 0.86 SLC1A1 (0.55) SLC1A1ROCK2DPP4DPP7DPP8
SCHEMBL6162540 0.86 SLC1A1 (0.55) SLC1A1ROCK2DPP4DPP7DPP8
Hydrochloric Acid SCHEMBL75361 0.85 SLC1A1 (0.54) SLC1A1ROCK2IDO1AGXTDPP4
Hydrochloric Acid SCHEMBL32677237 0.85 SLC1A1 (0.54) SLC1A1ROCK2IDO1AGXTDPP4
SCHEMBL7339183 0.85 SLC1A1 (0.54) SLC1A1ROCK2DPP4DPP7DPP8
SCHEMBL839832 0.85 SLC1A1 (0.54) SLC1A1ROCK2DPP4DPP7DPP8
SCHEMBL839078 0.85 SLC1A1 (0.54) SLC1A1ROCK2DPP4DPP7DPP8
Hydrochloric Acid SCHEMBL6164874 0.85 SLC1A1 (0.54) SLC1A1ROCK2IDO1AGXTDPP4
Hydrochloric Acid SCHEMBL27478280 0.85 SLC1A1 (0.54) SLC1A1ROCK2IDO1AGXTDPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230127248-A1 PEPTIDOMIMETIC MACROCYCLES AND FORMULATIONS THEREOF AILERON THERAPEUTICS, INC. 2023-04-27 US disclosed
US-20230119612-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2023-04-20 US disclosed
US-20230106577-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF AILERON THERAPEUTICS, INC. 2023-04-06 US disclosed
EP-3344275-B1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF AILERON THERAPEUTICS INC (US) 2023-03-08 EP disclosed
US-20230037284-A9 COMBINATION THERAPY OF PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2023-02-02 US disclosed
EP-3938051-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF Aileron Therapeutics, Inc. (US) 2022-01-19 EP disclosed
US-20220000968-A1 PEPTIDOMIMETIC MACROCYCLES HOFFMAN-LA ROCHE, INC. 2022-01-06 US disclosed
US-20210363189-A1 COMBINATION THERAPY OF PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS INC (US) 2021-11-25 US disclosed
US-20210299211-A1 PEPTIDOMIMETIC MACROCYCLES AND FORMULATIONS THEREOF AILERON THERAPEUTICS, INC. 2021-09-30 US disclosed
US-11091522-B2 Peptidomimetic macrocycles and uses thereof AILERON THERAPEUTICS, INC. (US) 2021-08-17 US disclosed
US-20140378390-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2014-12-25 US disclosed
US-8859723-B2 Peptidomimetic macrocycles AILERON THERAPEUTICS, INC. (US) 2014-10-14 US disclosed
US-20130274205-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2013-10-17 US disclosed
WO-2013123267-A1 TRIAZOLE-CROSSLINKED AND THIOETHER-CROSSLINKED PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2013-08-22 WO disclosed
WO-2013123266-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2013-08-22 WO disclosed
US-20130210745-A1 TRIAZOLE-CROSSLINKED AND THIOETHER-CROSSLINKED PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2013-08-15 US disclosed
US-20130210743-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2013-08-15 US disclosed
EP-2603600-A2 PEPTIDOMIMETIC MACROCYCLES Aileron Therapeutics, Inc. (US) 2013-06-19 EP disclosed
WO-2012173846-A2 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2012-12-20 WO disclosed
WO-2012021876-A2 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2012-02-16 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 (12 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-20230127248-A1 PEPTIDOMIMETIC MACROCYCLES AND FORMULATIONS THEREOF MDM2, TP53, TP53BP1 SLC1A1 3968/4885ROCK2 2852/4885IDO1 2064/4885
US-20130210743-A1 PEPTIDOMIMETIC MACROCYCLES GLP1R, PROKR1, VIP SLC1A1 3938/4885ROCK2 864/4885IDO1 1962/4885
US-20230119612-A1 PEPTIDOMIMETIC MACROCYCLES TP53, MDM2, MDM4 SLC1A1 3856/4885ROCK2 2913/4885IDO1 2962/4885
US-20230037284-A9 COMBINATION THERAPY OF PEPTIDOMIMETIC MACROCYCLES BID, FLT3, GRPR SLC1A1 4486/4885ROCK2 456/4885IDO1 2819/4885
US-20210299211-A1 PEPTIDOMIMETIC MACROCYCLES AND FORMULATIONS THEREOF MDM2, TP53, TP53BP1 SLC1A1 3968/4885ROCK2 2852/4885IDO1 2064/4885
US-20230106577-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF TP53, TP53BP1, MDM2 SLC1A1 4806/4885ROCK2 2989/4885IDO1 4337/4885
US-11091522-B2 Peptidomimetic macrocycles and uses thereof FLT3, BID, GRPR SLC1A1 4654/4885ROCK2 412/4885IDO1 3458/4885
US-20140378390-A1 PEPTIDOMIMETIC MACROCYCLES GLP1R, PROKR1, VIP SLC1A1 3938/4885ROCK2 864/4885IDO1 1962/4885
US-20220000968-A1 PEPTIDOMIMETIC MACROCYCLES TP53, MDM2, MDM4 SLC1A1 3856/4885ROCK2 2913/4885IDO1 2962/4885
US-20130210745-A1 TRIAZOLE-CROSSLINKED AND THIOETHER-CROSSLINKED PEPTIDOMIMETIC MACROCYCLES IL33, TPR, CDC37 SLC1A1 3452/4885ROCK2 2742/4885IDO1 2296/4885
US-20130274205-A1 PEPTIDOMIMETIC MACROCYCLES PROKR1, GLP1R, PROKR2 SLC1A1 3862/4885ROCK2 1311/4885IDO1 2964/4885
US-20210363189-A1 COMBINATION THERAPY OF PEPTIDOMIMETIC MACROCYCLES BID, FLT3, GRPR SLC1A1 4486/4885ROCK2 456/4885IDO1 2819/4885

“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.