Sugi Predict

Sugi Predict / Compounds / SCHEMBL2553049

SCHEMBL2553049

SCHEMBL2553049

CN(C)c1cccc(CC(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ AKR1B1 P15121 1/20 0.52
▸ HDAC1 Q13547 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51
▸ ALDH1A1 P00352 4/20 0.50
▸ GAA P10253 2/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ TSHR P16473 2/20 0.47
▸ MAPK1 P28482 1/20 0.46
▸ CNR1 P21554 1/20 0.45
▸ MAPT P10636 3/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ RGS12 O14924 1/20 0.44
▸ LMNA P02545 1/20 0.44

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
SCHEMBL3825118 0.85 HDAC1 (0.51) KMT2AL3MBTL1HDAC1HDAC6ALDH1A1
Hydrochloric Acid SCHEMBL7259023 0.84 HDAC1 (0.50) KMT2AL3MBTL1HDAC1HDAC6ALDH1A1
SCHEMBL28031258 0.84 HDAC1 (0.50) KMT2AL3MBTL1HDAC1HDAC6ALDH1A1
SCHEMBL16173948 0.83 KMT2A (0.60) KMT2AL3MBTL1HDAC1HDAC6ALDH1A1
SCHEMBL29954798 0.82 ALDH1A1 (0.58) KMT2AL3MBTL1HDAC1HDAC6ALDH1A1
SCHEMBL29844441 0.81 SLC7A5 (0.52) KMT2AL3MBTL1HDAC1HDAC6ALDH1A1
Hydrochloric Acid SCHEMBL10411183 0.81 ALDH1A1 (0.57) KMT2AL3MBTL1HDAC1HDAC6ALDH1A1
SCHEMBL11626366 0.80 AKR1B1 (0.43) KMT2AL3MBTL1AKR1B1ALDH1A1GAA
SCHEMBL11627622 0.80 AKR1B1 (0.43) AKR1B1HDAC1HDAC6ALDH1A1GAA
SCHEMBL14119191 0.80 ALDH1A1 (0.61) KMT2AL3MBTL1AKR1B1HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240391940-A1 FUSED RING-CONTAINING COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME GENEROS BIOPHARMA LTD. (GB) 2024-11-28 — — US disclosed
EP-4234544-A1 FUSED RING-CONTAINING COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME Generos Biopharma Ltd. (KY) 2023-08-30 — — EP disclosed
EP-4234544-A1 FUSED RING-CONTAINING COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME Generos Biopharma Ltd. (KY) 2023-08-30 — — EP disclosed
CN-116457347-A Compound containing condensed rings, application thereof and composition containing compound 健艾仕生物医药有限公司 2023-07-18 — — CN disclosed
CN-111777520-B Synthesis method of multi-substituted dimethylamino phenyl acetic acid compound 苏州爱玛特生物科技有限公司 2023-04-07 — — CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
CN-114478482-A Compound containing condensed ring, application thereof and composition containing compound 健艾仕生物医药有限公司 2022-05-13 — — CN disclosed
WO-2022083731-A1 FUSED RING-CONTAINING COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME 健艾仕生物医药有限公司 2022-04-28 — — WO disclosed
WO-2022083731-A1 FUSED RING-CONTAINING COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME 健艾仕生物医药有限公司 2022-04-28 — — WO disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 — — US disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 — — EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 — — US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 — — EP disclosed
US-20120220577-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO KGAA 2012-08-30 — — US disclosed
US-20120220577-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO KGAA 2012-08-30 — — US disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 — — WO disclosed
WO-2010139481-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO. KGAA (DE) 2010-12-09 — — WO disclosed
CN-100410245-C Arylmethyl-carbonylamino-thiazole derivatives and their use as antitumor agents PHARMACIA & UPJOHN SPA (IT) 2008-08-13 — — CN disclosed
CN-1425009-A Arylmethyl-carbonylamino-thiazole derivatives and their use as antitumor agents PHARMACIA & UPJOHN SPA (IT) 2003-06-18 — — CN disclosed
US-4778834-A COATING WITH SILICEOUS MATERIAL AND ORGANOSILANE, THEN POLYMERIZATION STERLING DRUG INC. (US) 1988-10-18 — — 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-20120220577-A1 GLYCINE B ANTAGONISTS GLRB, GRIN2B, GLRA2 KMT2A 2708/4885L3MBTL1 1436/4885AKR1B1 749/4885
US-20240391940-A1 FUSED RING-CONTAINING COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME STAT5A, STAT5B, JAK2 KMT2A 1540/4885L3MBTL1 4750/4885AKR1B1 4085/4885

“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.