SCHEMBL4660964

SCHEMBL4660964

CNC(=O)C(C)CC(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 11/20 0.42
MMP2 P08253 9/20 0.42
MMP8 P22894 6/20 0.42
KISS1R Q969F8 3/20 0.41
MMP1 P03956 11/20 0.40
MMP3 P08254 10/20 0.40
MMP13 P45452 3/20 0.40
ADAM17 P78536 3/20 0.39
MMP7 P09237 2/20 0.39
MMP14 P50281 2/20 0.39
TNF P01375 2/20 0.39
MMP20 O60882 1/20 0.39
ADAMTS4 O75173 1/20 0.39
MMP10 P09238 1/20 0.39
MMP12 P39900 1/20 0.39
MMP15 P51511 1/20 0.39
MMP16 P51512 1/20 0.39
MMP25 Q9NPA2 1/20 0.39
MMP26 Q9NRE1 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39

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
SCHEMBL16300127 1.00 MMP9 (0.42) MMP9MMP2MMP8KISS1RMMP1
SCHEMBL14365019 1.00 MMP9 (0.42) MMP9MMP2MMP8KISS1RMMP1
SCHEMBL18950437 0.82 LMNA (0.39) MMP9MMP2MMP8KISS1RMMP1
SCHEMBL23178017 0.80 MMP1 (0.37) MMP9MMP2MMP8KISS1RMMP1
SCHEMBL16526313 0.80 KISS1R (0.36) MMP9MMP2MMP8KISS1RMMP1
SCHEMBL16351262 0.80 KISS1R (0.36) MMP9MMP2MMP8KISS1RMMP1
SCHEMBL8246851 0.78 USP2 (0.33) MMP9MMP2MMP8MMP1MMP3
SCHEMBL16260517 0.78 MMP2 (0.35) MMP9MMP2MMP8MMP1MMP3
SCHEMBL22343466 0.78 MEN1 (0.35) MMP9MMP2MMP8MMP1MMP3
SCHEMBL11320412 0.78 GABRR1 (0.40) KISS1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6486193-B2 ANTIARTHRITIC AGENTS; ANTIINFLAMMATORY AGENTS AVENTIS PHARMACEUTICALS INC. 2002-11-26 US claimed
US-20020037859-A1 3-substituted pyrrolidines useful as inhibitors of matrix metalloproteinases AVENTISUB INC. 2002-03-28 US claimed
WO-2023133240-A1 COMPOSITIONS, FORMULATIONS, AND METHODS FOR SKIN TREATMENT REVELA, INC. (US) 2023-07-13 WO disclosed
US-20230203032-A1 NAPHTHYRIDINONE DERIVATIVES FOR THE TREATMENT OF A DISEASE OR DISORDER NOVARTIS AG (CH) 2023-06-29 US disclosed
EP-2694532-B1 AUREOBASIDIN DERIVATIVES AND METHODS OF SYNTHESIS AUREOGEN BIOSCIENCES INC (US) 2021-04-21 EP disclosed
EP-1937643-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-07-13 EP disclosed
US-20160067346-A1 BRUSH-POLY (GLYCOAMIDOAMINE)-LIPIDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-03-10 US disclosed
EP-1933622-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-03-09 EP disclosed
US-8779144-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof EVOTEC (US) INC. (US) 2014-07-15 US disclosed
US-8779144-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof EVOTEC (US) INC. (US) 2014-07-15 US disclosed
US-20110118287-A1 Bicycloheteroaryl Compounds As P2X7 Modulators and Uses Thereof RENOVIS, INC. (US) 2011-05-19 US disclosed
WO-2007109160-A9 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS INC (US) 2007-11-15 WO disclosed
WO-2007112505-A1 GLYCERIDE ESTER DERIVATIVES OF HERBICIDAL COMPOUNDS AND COMPOSITIONS THEREOF NUFARM AUSTRALIA LIMITED (AU) 2007-10-11 WO disclosed
WO-2007109201-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-09-27 WO disclosed
WO-2007109160-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-09-27 WO disclosed
WO-2007109192-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-09-27 WO disclosed
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2007-09-27 US disclosed
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2007-09-27 US disclosed
US-6486193-B2 ANTIARTHRITIC AGENTS; ANTIINFLAMMATORY AGENTS AVENTIS PHARMACEUTICALS INC. 2002-11-26 US disclosed
US-20020037859-A1 3-substituted pyrrolidines useful as inhibitors of matrix metalloproteinases AVENTISUB INC. 2002-03-28 US 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-20110118287-A1 Bicycloheteroaryl Compounds As P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX1 MMP9 827/4885MMP2 834/4885MMP8 211/4885
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 MMP9 849/4885MMP2 802/4885MMP8 165/4885
US-20230203032-A1 NAPHTHYRIDINONE DERIVATIVES FOR THE TREATMENT OF A DISEASE OR DISORDER PKD1, PKD2, ASAH2 MMP9 2937/4885MMP2 3576/4885MMP8 778/4885
US-20160067346-A1 BRUSH-POLY (GLYCOAMIDOAMINE)-LIPIDS AND USES THEREOF GLUL, FPGS, GLS MMP9 2370/4885MMP2 2053/4885MMP8 2036/4885
US-20020037859-A1 3-substituted pyrrolidines useful as inhibitors of matrix metalloproteinases MMP3, MMP1, MMP9 MMP9 3/4885MMP2 10/4885MMP8 20/4885

“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.