SCHEMBL542441

SCHEMBL542441

CCC1(c2ccc(OC(C)C)c(F)c2)NC(=O)NC1=O

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP14 P50281 4/20 0.46
MMP8 P22894 3/20 0.46
GAA P10253 1/20 0.41
MMP2 P08253 3/20 0.38
MMP17 Q9ULZ9 3/20 0.38
MMP1 P03956 1/20 0.35
ADAM17 P78536 2/20 0.34
P2RX3 P56373 2/20 0.34
TNF P01375 1/20 0.34
MMP3 P08254 1/20 0.33

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
SCHEMBL543294 0.81 LMNA (0.49) MMP14MMP8GAAADAM17P2RX3
SCHEMBL29688652 0.79 MMP14 (0.54) MMP14MMP8MMP2MMP17MMP1
SCHEMBL20134812 0.79 MMP14 (0.54) MMP14MMP8MMP2MMP17MMP1
SCHEMBL543101 0.79 KDM4E (0.41) MMP14MMP8GAAMMP2MMP17
SCHEMBL20135060 0.74 MMP14 (0.45) MMP14MMP8MMP2MMP17MMP1
SCHEMBL29688624 0.70 MMP14 (0.43) MMP14MMP8MMP2MMP17MMP1
SCHEMBL20134755 0.69 MMP14 (0.53) MMP14MMP8MMP2MMP17MMP1
SCHEMBL3410690 0.69 ADAM17 (0.60) MMP14MMP8MMP2MMP17MMP1
SCHEMBL20135652 0.69 ADAM17 (0.60) MMP14MMP8MMP2MMP17MMP1
SCHEMBL20135513 0.69 ADAM17 (0.60) MMP14MMP8MMP2MMP17MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168666-B2 Substituted carbinol compound KOWA COMPANY, LTD. (JP) 2012-05-01 US disclosed
EP-2098515-B1 SUBSTITUTED CARBINOL COMPOUND KOWA CO (JP) 2012-02-08 EP disclosed
US-8008306-B2 Quinoline compounds KOWA COMPANY, LTD. (JP) 2011-08-30 US disclosed
EP-2272843-A1 QUINOLINE COMPOUND Kowa Company, Ltd. (JP) 2011-01-12 EP disclosed
US-20100063119-A1 SUBSTITUTED CARBINOL COMPOUND KOWA COMPANY, LTD. (JP) 2010-03-11 US disclosed
US-20100016327-A1 QUINOLINE COMPOUNDS KOWA COMPANY, LTD. (JP) 2010-01-21 US disclosed
EP-2098515-A1 SUBSTITUTED CARBINOL COMPOUND Kowa Company. Ltd. (JP) 2009-09-09 EP 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 (2 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-20100063119-A1 SUBSTITUTED CARBINOL COMPOUND NR1H2, NR1H3, CYP46A1 MMP14 1815/4885MMP8 701/4885GAA 2035/4885
US-20100016327-A1 QUINOLINE COMPOUNDS NR1H2, NR1H3, LDLR MMP14 2501/4885MMP8 1818/4885GAA 504/4885

“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.