Sugi Predict

Sugi Predict / Compounds / SCHEMBL245404

SCHEMBL245404

SCHEMBL245404

Cc1ccc([C@H](O)C(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.62
▸ MAPK1 P28482 1/20 0.62
▸ KEAP1 Q14145 1/20 0.51
▸ NFE2L2 Q16236 1/20 0.51
▸ BLM P54132 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ ACHE P22303 1/20 0.42
▸ ALOX5 P09917 1/20 0.42
▸ CES2 O00748 2/20 0.42
▸ CES1 P23141 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ SRD5A2 P31213 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ PSMB5 P28074 1/20 0.41

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
SCHEMBL366066 1.00 LMNA (0.62) LMNAMAPK1KEAP1NFE2L2BLM
SCHEMBL245405 1.00 LMNA (0.62) LMNAMAPK1KEAP1NFE2L2BLM
SCHEMBL11835765 0.94 LMNA (0.56) LMNAMAPK1KEAP1NFE2L2BLM
D-Alanine SCHEMBL11208357 0.90 LMNA (0.52) LMNAMAPK1KEAP1NFE2L2BLM
D-Alanine SCHEMBL11207612 0.90 LMNA (0.52) LMNAMAPK1KEAP1NFE2L2BLM
Alanine SCHEMBL11209772 0.90 LMNA (0.52) LMNAMAPK1KEAP1NFE2L2BLM
Alanine SCHEMBL11204313 0.90 LMNA (0.52) LMNAMAPK1KEAP1NFE2L2BLM
D-Alanine SCHEMBL11496478 0.88 LMNA (0.50) LMNAMAPK1KEAP1NFE2L2BLM
SCHEMBL275597 0.87 LMNA (0.79) LMNAMAPK1BLMNPSR1TSHR
SCHEMBL9000789 0.81 LMNA (0.62) LMNAMAPK1BLMNPSR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7985572-B2 Modified nitrilases and their use in methods for the production of carboxylic acids BASF SE (DE) 2011-07-26 — — US claimed
EP-1599584-B1 MODIFIED NITRILASES AND THEIR USE IN METHODS FOR THE PRODUCTION OF CARBOXYLIC ACIDS BASF SE (DE) 2009-07-01 — — EP claimed
US-20060259999-A1 Modified nitrilases and their use in methods for the production of carboxylic acids BASF AKTIENGESELLSCHAFT (DE) 2006-11-16 — — US claimed
CN-109529794-B Optical pure mandelic acid derivative-cellulose chiral stationary phase, preparation method and application 中国人民解放军第四军医大学 2021-12-17 — — CN disclosed
US-10857517-B2 Porous chiral materials and uses thereof NANKAI UNIVERSITY (CN) 2020-12-08 — — US disclosed
CN-109689667-A Porous chiral material and use thereof 南开大学 2019-04-26 — — CN disclosed
CN-109529794-A Optical pure mandel derivative-Cellulose chiral stationaryphase, preparation method and application 中国人民解放军第四军医大学 2019-03-29 — — CN 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-9315792-B2 Nitrilases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC (US) 2016-04-19 — — US disclosed
US-20060110808-A1 Methods for preserving and/or storing cellshaving a nitrilase or nitrile hydratase avtivity BASF AKTIENGESELLSCHAFT 2006-05-25 — — US disclosed
EP-1599584-A1 MODIFIED NITRILASES AND THEIR USE IN METHODS FOR THE PRODUCTION OF CARBOXYLIC ACIDS BASF AKTIENGESELLSCHAFT (DE) 2005-11-30 — — EP disclosed
EP-1578910-A2 NITRILASES DIVERSA CORPORATION (US) 2005-09-28 — — EP disclosed
WO-2004076655-A1 MODIFIED NITRILASES AND THEIR USE IN METHODS FOR THE PRODUCTION OF CARBOXYLIC ACIDS BASF AKTIENGESELLSCHAFT (DE) 2004-09-10 — — WO disclosed
WO-2003000840-A2 NITRILASES DIVERSA CORPORATION (US) 2003-01-03 — — WO 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 (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-20170260119-A1 Asymmetrical hydrogenation reaction of ketonic acid compound KHK, PKLR, BCKDK LMNA 3213/4885MAPK1 1240/4885KEAP1 2035/4885
US-10857517-B2 Porous chiral materials and uses thereof ANXA7, XDH, OPRM1 LMNA 219/4885MAPK1 1200/4885KEAP1 3938/4885

“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.