Sugi Predict

Sugi Predict / Compounds / SCHEMBL4634271

SCHEMBL4634271

SCHEMBL4634271

COc1ccc([C@H](O)C(=O)O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.56
▸ NPSR1 Q6W5P4 2/20 0.56
▸ BLM P54132 1/20 0.56
▸ LMNA P02545 2/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ LDHA P00338 1/20 0.53
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ PTGS2 P35354 3/20 0.51
▸ AKR1C3 P42330 3/20 0.51
▸ AKR1C2 P52895 3/20 0.51
▸ PTGS1 P23219 2/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ CDC42 P60953 1/20 0.51
▸ RAC1 P63000 1/20 0.51
▸ SLC22A6 Q4U2R8 1/20 0.51
▸ ACP3 P15309 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ CES2 O00748 1/20 0.48

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
SCHEMBL503628 1.00 TSHR (0.56) TSHRNPSR1BLMLMNAMAPK1
SCHEMBL503627 1.00 TSHR (0.56) TSHRNPSR1BLMLMNAMAPK1
SCHEMBL15485802 0.98 TSHR (0.54) TSHRNPSR1BLMLMNAMAPK1
SCHEMBL1680972 0.98 TSHR (0.54) TSHRNPSR1BLMLMNAMAPK1
SCHEMBL1891332 0.98 TSHR (0.54) TSHRNPSR1BLMLMNAMAPK1
SCHEMBL11838733 0.94 FFAR1 (0.53) TSHRNPSR1BLMLMNAMAPK1
Alanine SCHEMBL11205694 0.91 GRM8 (0.49) TSHRNPSR1BLMLMNAMAPK1
D-Alanine SCHEMBL11208761 0.91 GRM8 (0.49) TSHRNPSR1BLMLMNAMAPK1
SCHEMBL30967609 0.85 ESR1 (0.58) TSHRNPSR1BLMLMNALDHA
SCHEMBL10757243 0.84 CA1 (0.48) TSHRNPSR1LDHACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109689667-B Porous chiral material and use thereof 南开大学 2022-07-12 — — CN disclosed
US-10857517-B2 Porous chiral materials and uses thereof NANKAI UNIVERSITY (CN) 2020-12-08 — — US disclosed
EP-3196185-B1 ASYMMETRICAL HYDROGENATION REACTION OF KETONIC ACID COMPOUND ZHEJIANG JIUZHOU PHARMA SCIENCE & TECH CO LTD (CN) 2019-06-12 — — EP disclosed
US-20170260119-A1 Asymmetrical hydrogenation reaction of ketonic acid compound ZHEJIANG JIUZHOU PHARMA SCIENCE&TECHNOLOGY CO LTD (CN) 2017-09-14 — — US disclosed
US-20170260119-A1 Asymmetrical hydrogenation reaction of ketonic acid compound ZHEJIANG JIUZHOU PHARMA SCIENCE&TECHNOLOGY CO LTD (CN) 2017-09-14 — — US disclosed
EP-3196185-A1 ASYMMETRICAL HYDROGENATION REACTION OF KETONIC ACID COMPOUND Zhejiang Jiuzhou Pharma Science & Technology Co., Ltd. (CN) 2017-07-26 — — EP disclosed
US-20080311636-A1 Method for Producing Optically Active Alpha-Hydroxycarboxylic Acid DAIICHI FINE CHEMICAL CO., LTD. (JP) 2008-12-18 — — US disclosed
US-20080311636-A1 Method for Producing Optically Active Alpha-Hydroxycarboxylic Acid DAIICHI FINE CHEMICAL CO., LTD. (JP) 2008-12-18 — — US disclosed
US-20080311636-A1 Method for Producing Optically Active Alpha-Hydroxycarboxylic Acid DAIICHI FINE CHEMICAL CO., LTD. (JP) 2008-12-18 — — US disclosed
EP-1930441-A1 METHOD FOR PRODUCTION OF OPTICALLY ACTIVE -HYDROXYCARBOXYLIC ACID Daiichi Fine Chemical Co., Ltd. (JP) 2008-06-11 — — EP disclosed
EP-0836615-B1 NEW THROMBIN INHIBITORS, THEIR PREPARATION AND USE ASTRAZENECA AB (SE) 2003-04-23 — — EP disclosed
US-20020042396-A1 Amino acid derivatives ASTRA AB 2002-04-11 — — US disclosed
US-6337343-B1 TREATMENT OF THROMBOSIS WITH ANTICOAGULANTS ASTRAZENECA AB (SE) 2002-01-08 — — US disclosed
US-6051568-A Thrombin inhibitors, their preparation and use ASTRA AKTIEBOLAG (SE) 2000-04-18 — — US disclosed
WO-1997002284-A1 NEW THROMBIN INHIBITORS, THEIR PREPARATION AND USE ASTRA AKTIEBOLAG (SE) 1997-01-23 — — WO disclosed
EP-0482594-A1 Tylosin derivative and method for preparing the same MERCIAN CORPORATION (JP) 1992-04-29 — — EP disclosed
US-4297489-A CEPHALOSPORINS BRISTOL-MYERS COMPANY (US) 1981-10-27 — — US disclosed
US-4172196-A CEPHALOSPORINS BRISTOL-MYERS COMPANY (US) 1979-10-23 — — US disclosed
US-4112228-A BACTERICIDES BRISTOL-MYERS COMPANY (US) 1978-09-05 — — US disclosed
US-3985738-A ANTIBACTERIAL AGENTS BRISTOL-MYERS COMPANY (US) 1976-10-12 — — 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 (4 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-20080311636-A1 Method for Producing Optically Active Alpha-Hydroxycarboxylic Acid PCCA, HCAR1, HCAR2 TSHR 4511/4885NPSR1 3613/4885BLM 4329/4885
US-20170260119-A1 Asymmetrical hydrogenation reaction of ketonic acid compound KHK, PKLR, BCKDK TSHR 870/4885NPSR1 3168/4885BLM 4055/4885
US-20020042396-A1 Amino acid derivatives F2, SERPINC1, ARGLU1 TSHR 543/4885NPSR1 361/4885BLM 2731/4885
US-10857517-B2 Porous chiral materials and uses thereof ANXA7, XDH, OPRM1 TSHR 4681/4885NPSR1 996/4885BLM 3143/4885

“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.