SCHEMBL4295362

SCHEMBL4295362

C=CCCSc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.43
LTA4H P09960 9/20 0.43
TSHR P16473 1/20 0.43
PLA2G2A P14555 1/20 0.42
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NR1H2 P55055 1/20 0.39
BAX Q07812 1/20 0.39
MAOA P21397 1/20 0.39
TGM2 P21980 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 1/20 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
SCHEMBL4286263 0.92 LTA4H (0.42) ALDH1A1MAPK1LTA4HTSHRPLA2G2A
SCHEMBL10739081 0.85 ALDH1A1 (0.61) ALDH1A1MAPK1RAB9ASMN1; SMN2MAOA
SCHEMBL314128 0.84 ALDH1A1 (0.46) ALDH1A1LTA4HTSHRPLA2G2AGLA
SCHEMBL20692333 0.77 MAPK1 (0.37) ALDH1A1MAPK1TSHRNR1H2CYP3A4
SCHEMBL29565879 0.76 LTA4H (0.61) ALDH1A1LTA4HPLA2G2AGLAGAA
SCHEMBL11568945 0.74 FFAR1 (0.53) LTA4HTSHRGLAGAAHTT
SCHEMBL30330899 0.74 LTA4H (0.41) ALDH1A1LTA4HTSHRPLA2G2AGLA
SCHEMBL13969406 0.73 LTA4H (0.55) ALDH1A1LTA4HTSHRPLA2G2AHTT
SCHEMBL10920643 0.73 NPC1 (0.47) ALDH1A1MAPK1TSHRRAB9ACYP1A2
SCHEMBL28167886 0.73 KDM4E (0.46) ALDH1A1TSHRHTTRAB9ACYP1A2

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 ALDH1A1 1067/4885MAPK1 2265/4885LTA4H 718/4885
US-20090209615-A1 INHIBITORS OF MATRIX METALLOPROTEINASES TO TREAT NEUROLOGICAL DISORDERS MMP9, MMP10, MMP17 ALDH1A1 288/4885MAPK1 656/4885LTA4H 486/4885
US-20040127478-A1 Inhibitors of matrix metalloproteinases MMP1, MMP9, MMP3 ALDH1A1 1774/4885MAPK1 1051/4885LTA4H 565/4885

“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.