Sugi Predict

Sugi Predict / Compounds / SCHEMBL305295

SCHEMBL305295

SCHEMBL305295

CCC(=O)C(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.60
▸ TDP1 Q9NUW8 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ SLC6A2 P23975 1/20 0.53
▸ SLC6A3 Q01959 1/20 0.53
▸ RAB9A P51151 4/20 0.49
▸ GAA P10253 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ LMNA P02545 3/20 0.49
▸ HCAR2 Q8TDS4 1/20 0.49
▸ CES2 O00748 1/20 0.47
▸ CES1 P23141 1/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ MAPT P10636 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.45

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
Water SCHEMBL27549869 0.87 ALDH1A1 (0.55) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL820414 0.85 ALDH1A1 (0.56) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL20278724 0.84 ALDH1A1 (0.55) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL27144 0.83 ALDH1A1 (0.68) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL7692974 0.83 ALDH1A1 (0.63) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL1371274 0.82 ALDH1A1 (0.62) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL7636977 0.82 ALDH1A1 (0.66) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL11041596 0.82 ALDH1A1 (0.57) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL7326770 0.82 ALDH1A1 (0.55) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL7901947 0.82 CA12 (0.54) ALDH1A1KMT2AL3MBTL1RAB9AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240024266-A1 Therapeutic Agent or Prophylactic Agent for COVID-19 HIROSHIMA UNIVERSITY (JP) 2024-01-25 — — US disclosed
US-11840544-B2 Intermediates in the synthesis of C3-substituted cephalosporins NORBROOK LABORATORIES LIMITED (GB) 2023-12-12 — — US disclosed
CN-114958934-B Method for preparing L-glufosinate 苏州百福安酶技术有限公司 2023-07-18 — — CN disclosed
US-20230133581-A1 Novel 3,5-Diaminobenzoic Acid Compound, and PIN1 Inhibitor and Therapeutic Agent for Inflammatory Diseases Using Same HIROSHIMA UNIVERSITY (JP) 2023-05-04 — — US disclosed
US-20170313719-A1 Thieno[2,3-D]pyrimidin-4-one Derivatives as NMDAR Modulators and Uses Related Thereto UNIV EMORY (US) 2017-11-02 — — US disclosed
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS MEIJI SEIKA KAISHA (JP) 2016-06-02 — — US disclosed
US-9260375-B2 Metallo-β-lactamase inhibitors MEIJI SEIKA KAISHA, LTD. (JP) 2016-02-16 — — US disclosed
CN-102964239-B metal-beta-lactamase inhibitor MEIJI SEIKA PHARMA CO., LTD. (JP) 2016-01-20 — — CN disclosed
CN-101267815-B metallo-beta-lactamase inhibitors MEIJI SEIKA PHARMA CO LTD 2013-11-06 — — CN disclosed
EP-2609067-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID ESTER Sumitomo Chemical Co., Ltd (JP) 2013-07-03 — — EP disclosed
US-7482366-B2 Modulators of LXR X-CEPTOR THERAPEUTICS, INC. (US) 2009-01-27 — — US disclosed
CN-101267815-A metallo-beta-lactamase inhibitors MEIJI SEIKA KAISHA (JP) 2008-09-17 — — CN disclosed
EP-1941873-A1 METALLO-BETA-LACTAMASE INHIBITOR MEIJI SEIKA KAISHA LTD. (JP) 2008-07-09 — — EP disclosed
US-20080119488-A1 Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2008-05-22 — — US disclosed
US-20080090825-A1 Metallo-beta-lactamase inhibitors MEIJI SEIKA KAISHA, LTD. (JP) 2008-04-17 — — US disclosed
EP-1773337-A2 MODULATORS OF NUCLEAR RECEPTORS Exelixis, Inc. (US) 2007-04-18 — — EP disclosed
WO-2006025979-A9 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS INC (US) 2006-04-20 — — WO disclosed
WO-2006025979-A2 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS, INC. (US) 2006-03-09 — — WO disclosed
US-20050080111-A1 Modulators of LXR X-CEPTOR THERAPEUTICS, INC. (US) 2005-04-14 — — US disclosed
EP-0329606-A2 Antibiotics from myxocuccos CIBA-GEIGY AG (CH) 1989-08-23 — — EP 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 (8 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-20080119488-A1 Modulators Of Nuclear Receptors NR1H2, NR0B1, NR1H3 ALDH1A1 1094/4885TDP1 4189/4885KMT2A 2364/4885
US-20230133581-A1 Novel 3,5-Diaminobenzoic Acid Compound, and PIN1 Inhibitor and Therapeutic Agent for Inflammatory Diseases Using Same PIN1, DUSP15, FKBP1A ALDH1A1 2183/4885TDP1 3878/4885KMT2A 3003/4885
US-20080090825-A1 Metallo-beta-lactamase inhibitors ME1, MGAM, GAA ALDH1A1 372/4885TDP1 2860/4885KMT2A 1979/4885
US-11840544-B2 Intermediates in the synthesis of C3-substituted cephalosporins C5, C1S, C3AR1 ALDH1A1 1490/4885TDP1 4659/4885KMT2A 3358/4885
US-20050080111-A1 Modulators of LXR NR1H2, NR1H3, NR1H4 ALDH1A1 2287/4885TDP1 4455/4885KMT2A 1780/4885
US-20170313719-A1 Thieno[2,3-D]pyrimidin-4-one Derivatives as NMDAR Modulators and Uses Related Thereto GRIN2A, GRIN3A, GRIN1 ALDH1A1 2067/4885TDP1 590/4885KMT2A 369/4885
US-20240024266-A1 Therapeutic Agent or Prophylactic Agent for COVID-19 PIN1, ACE2, ACE ALDH1A1 4006/4885TDP1 3987/4885KMT2A 3733/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA ALDH1A1 461/4885TDP1 3098/4885KMT2A 1961/4885

“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.