Sugi Predict

Sugi Predict / Compounds / SCHEMBL626504

SCHEMBL626504

SCHEMBL626504

CC(C)(C)OC(=O)n1cc(C=O)c2ccc(Cl)cc21

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ HTR6 P50406 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ ERN1 O75460 1/20 0.36
▸ MAPK8 P45983 4/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ HSP90AB1 P08238 1/20 0.35
▸ GABRA1 P14867 1/20 0.35
▸ GABRG2 P18507 1/20 0.35
▸ GABRB3 P28472 1/20 0.35
▸ GABRA5 P31644 1/20 0.35
▸ BRD4 O60885 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ STS P08842 1/20 0.34
▸ IMPDH2 P12268 1/20 0.33
▸ BUB1 O43683 1/20 0.33

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
SCHEMBL29443989 1.00 ACHE (0.41) ACHEMEN1KMT2AHTR6L3MBTL1
SCHEMBL2454469 0.90 HTR6 (0.44) ACHEMEN1KMT2AHTR6L3MBTL1
SCHEMBL19473273 0.87 MEN1 (0.42) ACHEMEN1KMT2AHTR6L3MBTL1
SCHEMBL29443975 0.85 ALDH1A1 (0.45) ACHEMEN1KMT2AHTR6L3MBTL1
SCHEMBL2010979 0.85 MEN1 (0.41) ACHEMEN1KMT2AHTR6L3MBTL1
SCHEMBL15902183 0.85 ALDH1A1 (0.45) ACHEMEN1KMT2AHTR6L3MBTL1
SCHEMBL15902037 0.84 ALDH1A1 (0.58) ACHEMEN1KMT2AHTR6L3MBTL1
SCHEMBL29443970 0.84 ALDH1A1 (0.58) ACHEMEN1KMT2AHTR6L3MBTL1
SCHEMBL1606364 0.83 L3MBTL1 (0.41) ACHEMEN1KMT2AHTR6L3MBTL1
SCHEMBL15902423 0.82 MEN1 (0.41) ACHEMEN1KMT2AHTR6L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12012411-B2 Viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2024-06-18 — — US disclosed
US-20230119612-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2023-04-20 — — US disclosed
US-20230119612-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2023-04-20 — — US disclosed
EP-3344275-B1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF AILERON THERAPEUTICS INC (US) 2023-03-08 — — EP disclosed
WO-2022170108-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF IN PREVENTION OF RADIATION INJURY AILERON THERAPEUTICS, INC. (US) 2022-08-11 — — WO disclosed
CN-114853866-A Peptidomimetic macrocycles 艾瑞朗医疗公司 2022-08-05 — — CN disclosed
CN-112500466-B Peptidomimetic macrocycles 艾瑞朗医疗公司 2022-05-03 — — CN disclosed
US-20220106321-A1 VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-04-07 — — US disclosed
US-11279704-B2 Viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-03-22 — — US disclosed
CN-108348571-B Peptidomimetic macrocycles and uses thereof 艾瑞朗医疗公司 2022-03-22 — — CN disclosed
US-20130210745-A1 TRIAZOLE-CROSSLINKED AND THIOETHER-CROSSLINKED PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2013-08-15 — — US disclosed
US-20130210745-A1 TRIAZOLE-CROSSLINKED AND THIOETHER-CROSSLINKED PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2013-08-15 — — US 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
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-2012021876-A2 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2012-02-16 — — WO disclosed
WO-2012021874-A1 PEPTIDOMIMETIC MACROCYCLES WITH THIOETHER LINKERS AILERON THERAPEUTICS, INC. (US) 2012-02-16 — — WO disclosed
WO-2012021874-A1 PEPTIDOMIMETIC MACROCYCLES WITH THIOETHER LINKERS AILERON THERAPEUTICS, INC. (US) 2012-02-16 — — WO disclosed
WO-2012021875-A1 PEPTIDOMIMETIC MACROCYCLES WITH TRIAZOLE LINKERS 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 (6 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-20130210743-A1 PEPTIDOMIMETIC MACROCYCLES GLP1R, PROKR1, VIP ACHE 4496/4885MEN1 219/4885KMT2A 4189/4885
US-20230119612-A1 PEPTIDOMIMETIC MACROCYCLES TP53, MDM2, MDM4 ACHE 4253/4885MEN1 250/4885KMT2A 2469/4885
US-11279704-B2 Viral replication inhibitors EIF2AK2, MAVS, ZC3HAV1 ACHE 4111/4885MEN1 3390/4885KMT2A 2425/4885
US-20220106321-A1 VIRAL REPLICATION INHIBITORS EIF2AK2, MAVS, ZC3HAV1 ACHE 4111/4885MEN1 3390/4885KMT2A 2425/4885
US-20130210745-A1 TRIAZOLE-CROSSLINKED AND THIOETHER-CROSSLINKED PEPTIDOMIMETIC MACROCYCLES IL33, TPR, CDC37 ACHE 4520/4885MEN1 1768/4885KMT2A 2694/4885
US-12012411-B2 Viral replication inhibitors EIF2AK2, MAVS, ZC3HAV1 ACHE 4111/4885MEN1 3390/4885KMT2A 2425/4885

“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.