SCHEMBL657740

SCHEMBL657740

CS(=O)(=O)Nc1ccc(CCC(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
KDM4E B2RXH2 2/20 0.59
LMNA P02545 1/20 0.59
HPGD P15428 1/20 0.59
HTT P42858 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
FFAR1 O14842 4/20 0.54
GRIN1 Q05586 5/20 0.53
GRIN2B Q13224 5/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
FFAR4 Q5NUL3 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
KCNH2 Q12809 1/20 0.52
POLB P06746 1/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL7907147 0.90 KDM4E (0.58) ALDH1A1KDM4ELMNAHPGDHTT
SCHEMBL5737290 0.87 ALDH1A1 (0.56) ALDH1A1KDM4ELMNAHPGDHTT
SCHEMBL10750177 0.86 ALDH1A1 (0.59) ALDH1A1KDM4ELMNAHPGDHTT
SCHEMBL9440112 0.85 KDM4E (0.58) ALDH1A1KDM4ELMNAHPGDHTT
SCHEMBL28153879 0.84 ALDH1A1 (0.61) ALDH1A1FFAR1CA1CA2FFAR4
SCHEMBL1422341 0.83 KDM4E (0.56) ALDH1A1KDM4ELMNAHPGDHTT
SCHEMBL8339606 0.83 ALDH1A1 (0.57) ALDH1A1FFAR1CA1CA2FFAR4
SCHEMBL1422207 0.82 ALDH1A1 (0.63) ALDH1A1KDM4ELMNAHPGDHTT
SCHEMBL3555520 0.81 KDM4E (0.59) ALDH1A1KDM4ELMNAHPGDHTT
SCHEMBL6500179 0.81 FABP4 (0.57) ALDH1A1SMN1; SMN2FFAR1POLB

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
EP-1534693-A2 1, 3-DIAMINO-2-HYDROXYPROPANE PRODRUG DERIVATIVES Elan Pharmaceuticals, Inc. (US) 2005-06-01 EP claimed
WO-2004022523-A2 1, 3-DIAMINO-2-HYDROXYPROPANE PRODRUG DERIVATIVES ELAN PHARMACEUTICALS, INC. (US) 2004-03-18 WO claimed
EP-2170334-B1 NMDA RECEPTOR ANTAGONISTS FOR NEUROPROTECTION UNIV EMORY (US) 2021-03-17 EP disclosed
CN-104067122-B Based on acridine and the fluorescent dye of acridine derivatives 艾尔玛可科学(苏格兰)有限公司 2016-10-12 CN disclosed
CN-104837816-A GPR40 receptor agonist, method for preparing same, and pharmaceutical composition containing same as active ingredient LG LIFE SCIENCES LTD 2015-08-12 CN disclosed
US-9079852-B2 NMDA receptor antagonists for neuroprotection EMORY UNIVERSITY (US) 2015-07-14 US disclosed
US-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection LIOTTA DENNIS C (US) 2014-01-30 US disclosed
CN-103497114-A NMDA receptor antagonists for neuroprotection UNIV EMORY 2014-01-08 CN disclosed
CN-103058957-A NMDA receptor antagonists for neuroprotection UNIV EMORY 2013-04-24 CN disclosed
US-8420680-B2 NMDA receptor antagonists for neuroprotection EMORY UNIVERSITY (US) 2013-04-16 US disclosed
CN-101815518-B NMDA receptor antagonists for neuroprotection UNIV EMORY 2013-01-09 CN disclosed
WO-2009137843-A2 NMDA RECEPTOR ANTAGONISTS FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS EMORY UNIVERSITY (US) 2009-11-12 WO disclosed
US-20090253710-A1 NMDA Receptor Antagonists for Neuroprotection EMORY UNIVERSITY 2009-10-08 US disclosed
WO-2009006437-A1 NMDA RECEPTOR ANTAGONISTS FOR NEUROPROTECTION EMORY UNIVERSITY (US) 2009-01-08 WO disclosed
US-5155268-A Antiarrhythmic N-aminoalkylene alkyl and aryl sulfonamides THE UPJOHN COMPANY (US) 1992-10-13 US disclosed
US-4855314-A VASOCONTRICTORS, TREATMENT OF MIGRAINES, 3-(AMINO-ETHYL)-5-(PHENYL(ALKYL)-CARBONYL OR SULFONYL-AMINOALKYL SUBSTITUTED GLAXO GROUP LIMITED (GB) 1989-08-08 US disclosed
CN-1030409-A Indole derivatives and preparation method thereof GLAXO GROUP LTD (GB) 1989-01-18 CN disclosed
EP-0164865-B1 N-(AMINOALKYLPHENYL)SULFONAMIDES THEIR PREPARATION AND THERAPEUTIC USE THE UPJOHN COMPANY (US) 1988-12-21 EP disclosed
EP-0240096-A1 Indole derivatives having a selective vasoconstrictor activity GLAXO GROUP LIMITED (GB) 1987-10-07 EP disclosed
EP-0164865-A1 N-(Aminoalkylphenyl)sulfonamides their preparation and therapeutic use THE UPJOHN COMPANY (US) 1985-12-18 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 (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-20090253710-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 ALDH1A1 2664/4885KDM4E 2576/4885LMNA 4281/4885
US-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 ALDH1A1 2668/4885KDM4E 2527/4885LMNA 4298/4885

“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.