SCHEMBL314128

SCHEMBL314128

C=CCSc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
LTA4H P09960 7/20 0.44
TSHR P16473 1/20 0.44
GAA P10253 2/20 0.42
GLA P06280 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NR1H2 P55055 1/20 0.41
BAX Q07812 1/20 0.41
MAOA P21397 1/20 0.41
TGM2 P21980 1/20 0.40
PLA2G2A P14555 1/20 0.39
MMP9 P14780 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
SCHEMBL30330899 0.86 LTA4H (0.41) ALDH1A1L3MBTL1CYP1A2CYP3A4MAPT
SCHEMBL4295362 0.84 ALDH1A1 (0.44) ALDH1A1L3MBTL1CYP1A2CYP3A4MAPT
SCHEMBL12717349 0.84 TEAD4 (0.42) ALDH1A1MAPTHTTRAB9ASMN1; SMN2
SCHEMBL7758343 0.84 MAOA (0.42) ALDH1A1L3MBTL1LTA4HRAB9ASMN1; SMN2
SCHEMBL10187438 0.84 ALDH1A1 (0.50) ALDH1A1CYP3A4MAPTLTA4HTSHR
SCHEMBL170050 0.82 ALDH1A1 (0.52) ALDH1A1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL11568567 0.82 ALDH1A1 (0.52) ALDH1A1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL9502734 0.81 ALDH1A1 (0.39) ALDH1A1L3MBTL1CYP1A2CYP3A4MAPT
SCHEMBL10187467 0.81 ALDH1A1 (0.39) ALDH1A1L3MBTL1CYP1A2CYP3A4MAPT
SCHEMBL28973497 0.80 ALDH1A1 (0.50) ALDH1A1L3MBTL1MAPTRAB9ASMN1; 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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093287-B2 Inhibitors of matrix metalloproteinases UNIVERSITY OF NOTRE DAME DU LAC (US) 2012-01-10 US disclosed
US-8093287-B2 Inhibitors of matrix metalloproteinases UNIVERSITY OF NOTRE DAME DU LAC (US) 2012-01-10 US disclosed
US-20110224275-A1 INHIBITORS OF MATRIX METALLOPROTEINASES NOTRE DAME UNIVERSITY (US) 2011-09-15 US disclosed
US-20110224275-A1 INHIBITORS OF MATRIX METALLOPROTEINASES NOTRE DAME UNIVERSITY (US) 2011-09-15 US disclosed
US-7928127-B2 Inhibitors of matrix metallaproteinases NOTRE DAME UNIVERSITY (US) 2011-04-19 US disclosed
US-7928127-B2 Inhibitors of matrix metallaproteinases NOTRE DAME UNIVERSITY (US) 2011-04-19 US disclosed
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-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-20090005420-A1 Inhibitors of Matrix Metallaproteinases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-01-01 US disclosed
US-20090005420-A1 Inhibitors of Matrix Metallaproteinases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-01-01 US disclosed
US-7144917-B2 Inhibitors of matrix metalloproteinases WAYNE STATE UNIVERSITY (US) 2006-12-05 US disclosed
WO-2006125208-A1 INHIBITORS OF MATRIX METALLOPROTEINASES WAYNE STATE UNIVERSITY (US) 2006-11-23 WO 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 (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-20020037916-A1 Inhibitors of matrix metallaproteinases MMP12, MMP1, MMP3 ALDH1A1 1067/4885L3MBTL1 1563/4885CYP1A2 2771/4885
US-20090005420-A1 Inhibitors of Matrix Metallaproteinases MMP9, MMP1, MMP2 ALDH1A1 333/4885L3MBTL1 4333/4885CYP1A2 902/4885
US-20090209615-A1 INHIBITORS OF MATRIX METALLOPROTEINASES TO TREAT NEUROLOGICAL DISORDERS MMP9, MMP10, MMP17 ALDH1A1 288/4885L3MBTL1 3899/4885CYP1A2 1149/4885
US-20040127478-A1 Inhibitors of matrix metalloproteinases MMP1, MMP9, MMP3 ALDH1A1 1774/4885L3MBTL1 1908/4885CYP1A2 2831/4885
US-20110224275-A1 INHIBITORS OF MATRIX METALLOPROTEINASES MMP9, MMP1, MMP2 ALDH1A1 403/4885L3MBTL1 4619/4885CYP1A2 561/4885

“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.