SCHEMBL4018044

SCHEMBL4018044

CC(C)(C)OC(=O)N[CH]CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
CA1 P00915 3/20 0.37
CA7 P43166 3/20 0.37
CA2 P00918 2/20 0.37
CTSK P43235 5/20 0.37
BTK Q06187 1/20 0.37
MAPK10 P53779 1/20 0.36
CA12 O43570 3/20 0.35
CA14 Q9ULX7 3/20 0.35
APLNR P35414 1/20 0.35
CTSS P25774 2/20 0.35
MAPT P10636 1/20 0.34
DGAT1 O75907 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
SCHEMBL166623 0.81 CA1 (0.42) MEN1GAAKMT2ATDP1CA1
SCHEMBL6610088 0.81 CTSK (0.38) MEN1GAAKMT2ATDP1CA1
SCHEMBL6612741 0.79 TDP1 (0.44) MEN1GAAKMT2ATDP1CA1
SCHEMBL10435327 0.78 TDP1 (0.39) MEN1GAAKMT2ATDP1CA1
SCHEMBL166206 0.76 CA1 (0.42) MEN1GAAKMT2ATDP1CA1
SCHEMBL6609512 0.76 CA12 (0.42) MEN1GAAKMT2ATDP1CA1
SCHEMBL738693 0.74 CA1 (0.43) MEN1GAAKMT2ATDP1CA1
SCHEMBL15096829 0.73 MAPK10 (0.41) MEN1GAAKMT2ATDP1CA1
SCHEMBL12571335 0.73 MAPK10 (0.41) MEN1GAAKMT2ATDP1CA1
SCHEMBL6610938 0.73 CTSK (0.38) MEN1GAAKMT2ATDP1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6376548-B1 FUNGICIDES; HERBICIDES; INSECTICIDES ROHM AND HAAS COMPANY 2002-04-23 US claimed
US-20090264411-A1 FUSED THIOPHENE DERIVATIVES AS MEK INHIBITORS UCB PHARMA S.A. (BE) 2009-10-22 US disclosed
WO-2009093009-A1 FUSED TRICYCLIC THIOPHENE DERIVATIVES AS MEK INHIBITORS UCB PHARMA S.A. (BE) 2009-07-30 WO disclosed
WO-2009093013-A1 FUSED THIOPHENE DERIVATIVES AS MEK INHIBITORS UCB PHARMA S.A. (BE) 2009-07-30 WO disclosed
US-6376548-B1 FUNGICIDES; HERBICIDES; INSECTICIDES ROHM AND HAAS COMPANY 2002-04-23 US disclosed
WO-2001056358-A2 ENHANCED PROPERTIED PESTICIDES ROHM AND HAAS COMPANY (US) 2001-08-09 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 (1 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-20090264411-A1 FUSED THIOPHENE DERIVATIVES AS MEK INHIBITORS MAPK15, MOK, MAPK14 MEN1 1220/4885GAA 4409/4885KMT2A 2093/4885

“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.