SCHEMBL4286263

SCHEMBL4286263

C=CCCCSc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.42
ALDH1A1 P00352 5/20 0.41
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 1/20 0.39
TSHR P16473 1/20 0.39
PLA2G2A P14555 1/20 0.39
DRD2 P14416 4/20 0.38
DRD4 P21917 4/20 0.38
GAA P10253 2/20 0.38
GLA P06280 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DRD3 P35462 2/20 0.38

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
SCHEMBL4295362 0.92 ALDH1A1 (0.44) LTA4HALDH1A1HTTMAPTL3MBTL1
SCHEMBL10223018 0.84 ALDH1A1 (0.56) ALDH1A1MAPK1DRD2DRD4RAB9A
SCHEMBL314128 0.80 ALDH1A1 (0.46) LTA4HALDH1A1HTTMAPTL3MBTL1
SCHEMBL29565879 0.80 LTA4H (0.61) LTA4HALDH1A1HTTL3MBTL1PLA2G2A
SCHEMBL11341186 0.78 ALDH1A1 (0.52) ALDH1A1TDP1MAPK1DRD2DRD4
SCHEMBL10739081 0.77 ALDH1A1 (0.61) ALDH1A1MAPTMAPK1RAB9ASMN1; SMN2
SCHEMBL21102210 0.75 ALDH1A1 (0.45) ALDH1A1LMNAMAPTTSHRRAB9A
Diphenylether SCHEMBL9420447 0.71 TSHR (0.57) LTA4HALDH1A1HTTLMNAMAPT
SCHEMBL7980722 0.71 ALDH1A1 (0.62) LTA4HALDH1A1L3MBTL1DRD2DRD4
SCHEMBL11568945 0.70 FFAR1 (0.53) LTA4HHTTTSHRGAAGLA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209615-A1 INHIBITORS OF MATRIX METALLOPROTEINASES TO TREAT NEUROLOGICAL DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-08-20 US disclosed
US-7144917-B2 Inhibitors of matrix metalloproteinases WAYNE STATE UNIVERSITY (US) 2006-12-05 US disclosed
WO-2006036928-A2 INHIBITORS OF MATRIX METALLOPROTEINASES TO TREAT NEUROLOGICAL DISORDERS WAYNE STATE UNIVERSITY (US) 2006-04-06 WO disclosed
EP-1309579-B1 INHIBITORS OF MATRIX METALLOPROTEINASES UNIV WAYNE STATE (US) 2005-10-12 EP disclosed
US-20040127478-A1 Inhibitors of matrix metalloproteinases WAYNE STATE UNIVERSITY 2004-07-01 US disclosed
US-6703415-B2 EPOXIDES OR THIIRANE DERIVATIVES; TREATING OR PREVENTING CANCER, ANGIOGENESIS, ARTHRITIS, CONNECTIVE TISSUE DISEASE, CARDIOVASCULAR DISEASE, INFLAMMATION OR AUTOIMMUNE DISEASE; ANTIFERTILITY AGENTS WAYNE STATE UNIVERSITY 2004-03-09 US disclosed
EP-1309579-A1 INHIBITORS OF MATRIX METALLOPROTEINASES BOARD OF GOVERNORS OF WAYNE STATE UNIVERSITY (US) 2003-05-14 EP disclosed
US-20020037916-A1 Inhibitors of matrix metallaproteinases UNITED STATES GOVERNMENT SECRETARY OF THE ARMY, THE 2002-03-28 US disclosed
WO-2001092244-A1 INHIBITORS OF MATRIX METALLOPROTEINASES WAYNE STATE UNIVERSITY (US) 2001-12-06 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 (3 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-20020037916-A1 Inhibitors of matrix metallaproteinases MMP12, MMP1, MMP3 LTA4H 718/4885ALDH1A1 1067/4885HTT 3783/4885
US-20090209615-A1 INHIBITORS OF MATRIX METALLOPROTEINASES TO TREAT NEUROLOGICAL DISORDERS MMP9, MMP10, MMP17 LTA4H 486/4885ALDH1A1 288/4885HTT 235/4885
US-20040127478-A1 Inhibitors of matrix metalloproteinases MMP1, MMP9, MMP3 LTA4H 565/4885ALDH1A1 1774/4885HTT 1640/4885

“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.