Sugi Predict

Sugi Predict / Compounds / SCHEMBL9911523

SCHEMBL9911523

SCHEMBL9911523

CC(C)Nc1cccc(C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ TDP1 Q9NUW8 1/20 0.52
▸ AKR1C3 P42330 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ RHOA P61586 1/20 0.51
▸ NPC1 O15118 4/20 0.51
▸ RAB9A P51151 4/20 0.51
▸ POLB P06746 1/20 0.51
▸ MITF O75030 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ NR1H4 Q96RI1 2/20 0.49
▸ AKR1C2 P52895 1/20 0.49
▸ HPSE Q9Y251 1/20 0.49

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
SCHEMBL30607064 1.00 ALDH1A1 (0.56) ALDH1A1KDM4ETDP1AKR1C3MEN1
SCHEMBL31006729 0.86 ALDH1A1 (0.53) ALDH1A1KDM4EAKR1C3MEN1KMT2A
SCHEMBL19605493 0.86 ALDH1A1 (0.53) ALDH1A1KDM4EAKR1C3MEN1KMT2A
SCHEMBL13043850 0.85 KMT2A (0.59) ALDH1A1TDP1MEN1KMT2ANPC1
SCHEMBL22071483 0.84 ALDH1A1 (0.57) ALDH1A1KDM4ETDP1AKR1C3MEN1
SCHEMBL10024332 0.84 GAA (0.46) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL13841107 0.84 PARP1 (0.54) MEN1KMT2A
SCHEMBL20444785 0.83 KMT2A (0.61) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL10291845 0.83 ALDH1A1 (0.51) ALDH1A1KDM4EAKR1C3MEN1KMT2A
SCHEMBL13831592 0.82 RAB9A (0.59) ALDH1A1MEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110678450-B Isoxazole derivatives as nuclear receptor agonists and uses thereof 日东制药株式会社 2023-06-20 — — CN claimed
CN-112867751-B Dispersants for coating systems 巴斯夫欧洲公司 2023-10-27 — — CN disclosed
CN-110678450-B Isoxazole derivatives as nuclear receptor agonists and uses thereof 日东制药株式会社 2023-06-20 — — CN disclosed
US-20210230362-A1 A DISPERSANT FOR COATING SYSTEM BASF SE (DE) 2021-07-29 — — US disclosed
EP-3837303-A1 A DISPERSANT FOR COATING SYSTEM BASF SE (DE) 2021-06-23 — — EP disclosed
CN-112867751-A Dispersants for coating systems 巴斯夫欧洲公司 2021-05-28 — — CN disclosed
WO-2020035523-A1 A DISPERSANT FOR COATING SYSTEM BASF SE (DE) 2020-02-20 — — WO disclosed
WO-2017196261-A1 JAK AND HDAC DUAL-INHIBITOR COMPOUNDS NATIONAL UNIVERSITY OF SINGAPORE (SG) 2017-11-16 — — WO disclosed
US-9758477-B2 Sulfamoylbenzamide derivatives as antiviral agents against HBV infection DREXEL UNIVERSITY (US) 2017-09-12 — — US disclosed
US-9242944-B2 Potent analogues of the C-Myc inhibitor 10074-G5 with improved cell permeability UNIVERSITY OF MARYLAND, BALTIMORE (US) 2016-01-26 — — US disclosed
US-20140296307-A1 POTENT ANALOGUES OF THE C-MYC INHIBITOR 10074-G5 WITH IMPROVED CELL PERMEABILITY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2014-10-02 — — US disclosed
US-8198458-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 — — US disclosed
US-8198458-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 — — US disclosed
US-20120022070-A1 Heat Shock Protein 90 Inhibitors, Methods Of Preparing Same, And Methods For Their Use EMORY UNIVERSITY (US) 2012-01-26 — — US disclosed
US-7888363-B2 1-Cyclopentyl-3-methyl-2-(2-pyridyl)indole-5-amino/thio/carbonyl derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-15 — — US disclosed
US-7517998-B2 Benzothiazole or benzothiazine derivative of dipyrido(2,3;b:2',3'-e) diazepin-6-one; viricide against human t-cell leukemia/lymphoma virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2009-04-14 — — US disclosed
US-20070142380-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 — — US disclosed
US-7223785-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-29 — — 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 (3 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-20140296307-A1 POTENT ANALOGUES OF THE C-MYC INHIBITOR 10074-G5 WITH IMPROVED CELL PERMEABILITY MYC, MYCBP, MKI67 ALDH1A1 3910/4885KDM4E 542/4885TDP1 3756/4885
US-20070142380-A1 Viral Polymerase Inhibitors POLM, POLR2H, POLR2A ALDH1A1 1556/4885KDM4E 3117/4885TDP1 1197/4885
US-20120022070-A1 Heat Shock Protein 90 Inhibitors, Methods Of Preparing Same, And Methods For Their Use HSP90AB1, HSP90AA1, HSP90AB2P ALDH1A1 2606/4885KDM4E 4166/4885TDP1 885/4885

“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.