SCHEMBL6946394

SCHEMBL6946394

O=C(NCCC(NC(=O)OCc1ccccc1)C(=O)O)OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 5/20 0.65
SLC1A3 P43003 1/20 0.61
SLC1A1 P43005 1/20 0.61
LMNA P02545 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
SIRT2 Q8IXJ6 1/20 0.57
SIRT1 Q96EB6 1/20 0.57
HTT P42858 1/20 0.57
CPB1 P15086 1/20 0.56
CPB2 Q96IY4 1/20 0.56
MMP2 P08253 1/20 0.55
MMP9 P14780 1/20 0.55
ITGB3 P05106 2/20 0.54
ITGAV P06756 2/20 0.54
CTSL P07711 1/20 0.54
CTSB P07858 1/20 0.54
CTSS P25774 1/20 0.54
CTSK P43235 1/20 0.54

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
SCHEMBL18063383 1.00 FOLH1 (0.65) FOLH1SLC1A3SLC1A1LMNASMN1; SMN2
SCHEMBL11875673 0.92 FOLH1 (0.72) FOLH1SIRT2SIRT1HTTCPB1
SCHEMBL4173693 0.92 FOLH1 (0.72) FOLH1SIRT2SIRT1HTTCPB1
SCHEMBL4173691 0.92 FOLH1 (0.72) FOLH1SIRT2SIRT1HTTCPB1
SCHEMBL4561005 0.91 FOLH1 (0.78) FOLH1SIRT2SIRT1CPB1CPB2
SCHEMBL464715 0.91 FOLH1 (0.78) FOLH1SIRT2SIRT1CPB1CPB2
SCHEMBL20556201 0.91 SIRT2 (0.57) FOLH1SLC1A3SLC1A1SIRT2SIRT1
SCHEMBL20556200 0.91 SIRT2 (0.57) FOLH1SLC1A3SLC1A1SIRT2SIRT1
SCHEMBL806151 0.91 FOLH1 (0.78) FOLH1SIRT2SIRT1CPB1CPB2
SCHEMBL23574387 0.89 FOLH1 (0.54) FOLH1SLC1A3SLC1A1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11993571-B2 Indole derivatives as efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2024-05-28 US disclosed
US-20220194939-A1 Novel compounds and methods of use treating fructose-related disorders or diseases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-06-23 US disclosed
EP-3955914-A1 NOVEL COMPOUNDS AND METHODS OF USE TREATING FRUCTOSE-RELATED DISORDERS OR DISEASES Colorado Research Partners, LLC (US) 2022-02-23 EP disclosed
US-11180459-B2 Bacterial efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2021-11-23 US disclosed
US-20210094912-A1 INDOLE DERIVATIVES AS EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERISTY OF NEW JERSEY (US) 2021-04-01 US disclosed
WO-2020215022-A1 NOVEL COMPOUNDS AND METHODS OF USE TREATING FRUCTOSE-RELATED DISORDERS OR DISEASES COLORADO RESEARCH PARTNERS, LLC (US) 2020-10-22 WO disclosed
US-20200140393-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERISTY OF NEW JERSEY (US) 2020-05-07 US disclosed
WO-2018165611-A1 INDOLE DERIVATIVES AS EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-09-13 WO disclosed
WO-2018165612-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-09-13 WO disclosed
US-9950993-B2 Bacterial efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-04-24 US disclosed
US-5714490-A 4-(4-(4-(-((5-(2,4-DIHALOPHENYL)--TETRAHYDRO-5-(1H-1,2,4-TRIAZOL-1-YLMETHYL)TETRAHYDROFUR-3-YL)METHOXY)PHENYL)-2,4-DIHYDRO-2-(MONO- OR DIHYDROXYALKYL)-3H-1,2,4-TRIAZOL-3-ONE; BROAD SPECTRUM; WATER SOLUBILITY; ASPERGILLUS; CANDIDA SCHERING CORPORATION (US) 1998-02-03 US disclosed
US-5710154-A Tetrahydrofuran antifungals SCHERING CORPORATION (US) 1998-01-20 US disclosed
US-5703236-A PROTECTING; REACTING WITH GRIGNARD REAGENT; REDUCTION; CYCLIZATION; DEPROTECTING SCHERING CORPORATION (US) 1997-12-30 US disclosed
US-5703079-A Tetrahydrofuran antifungals SCHERING CORPORATION (US) 1997-12-30 US disclosed
US-5698557-A Hydroxy-substituted antifungals SCHERING CORPORATION (US) 1997-12-16 US disclosed
US-5693626-A TREATING OR PREVENTING FUNGAL INFECTIONS BY ORAL OR PARENTERAL ADMINISTRATION SCHERING CORPORATION (US) 1997-12-02 US disclosed
US-5661151-A Tetrahydrofuran antifungals SCHERING CORPORATION (US) 1997-08-26 US disclosed
EP-0773941-A1 TETRAHYDROFURAN ANTIFUNGALS SCHERING CORPORATION (US) 1997-05-21 EP disclosed
WO-1997000248-A1 HYDROXYALKYL-SUBSTITUTED TRIAZOLONES ANTIFUNGALS SCHERING CORPORATION (US) 1997-01-03 WO disclosed
WO-1996038443-A1 TETRAHYDROFURAN ANTIFUNGALS SCHERING CORPORATION (US) 1996-12-05 WO 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 (5 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-11180459-B2 Bacterial efflux pump inhibitors ABCB11, ABCB1, SLC47A1 FOLH1 1481/4885SLC1A3 942/4885SLC1A1 397/4885
US-20200140393-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 FOLH1 1481/4885SLC1A3 942/4885SLC1A1 397/4885
US-20210094912-A1 INDOLE DERIVATIVES AS EFFLUX PUMP INHIBITORS ABCB11, ABCB1, ABCG2 FOLH1 2058/4885SLC1A3 297/4885SLC1A1 122/4885
US-20220194939-A1 Novel compounds and methods of use treating fructose-related disorders or diseases GCK, KHK, HK1 FOLH1 449/4885SLC1A3 930/4885SLC1A1 1484/4885
US-11993571-B2 Indole derivatives as efflux pump inhibitors ABCB11, ABCB1, ABCG2 FOLH1 2058/4885SLC1A3 297/4885SLC1A1 122/4885

“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.