SCHEMBL12417636

SCHEMBL12417636

CCOCn1c(C)c(C)c(O)c(C(=O)NC)c1=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
KDM4E B2RXH2 9/20 0.38
MEN1 O00255 8/20 0.38
KMT2A Q03164 8/20 0.38
HTT P42858 6/20 0.38
USP2 O75604 4/20 0.38
HSD17B10 Q99714 3/20 0.38
ALDH1A1 P00352 7/20 0.36
HPGD P15428 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.32

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
SCHEMBL12417645 0.86 TSHR (0.41) TSHRKDM4EMEN1KMT2AHTT
SCHEMBL12417658 0.86 TSHR (0.41) TSHRKDM4EMEN1KMT2AHTT
SCHEMBL12417631 0.84 TSHR (0.50) TSHRKDM4EMEN1KMT2AHTT
SCHEMBL12417615 0.77 RAB9A (0.46) TSHRKDM4EMEN1KMT2AHTT
SCHEMBL12417638 0.74 TSHR (0.39) TSHRKDM4EMEN1KMT2AHTT
SCHEMBL12417620 0.72 TSHR (0.40) TSHRKDM4EMEN1KMT2AHTT
SCHEMBL12417655 0.70 TSHR (0.48) TSHRKDM4EMEN1KMT2AHTT
SCHEMBL12417651 0.70 TSHR (0.48) TSHRKDM4EMEN1KMT2AHTT
SCHEMBL12417634 0.69 HTT (0.39) TSHRKDM4EMEN1KMT2AHTT
SCHEMBL12417609 0.67 PLK1 (0.35) TSHRKDM4EALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304437-B2 Carboxamide compound and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-11-06 US disclosed
US-20110172276-A1 CARBOXAMIDE COMPOUND AND USE OF THE SAME ARIMORI SADAYUKI 2011-07-14 US disclosed
US-7943614-B2 Carboxamide compound and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-17 US disclosed
US-7943638-B2 Carboxamide compound and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-17 US disclosed
US-7935716-B2 Carboxamide compound and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-03 US disclosed
US-20090111852-A1 Carboxamide Compound and Use of the Same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-04-30 US disclosed
US-20090111815-A1 Carboxamide Compound and Use of the Same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-04-30 US disclosed
US-20090076063-A1 Carboxamide compound and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-03-19 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 (4 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-20090111852-A1 Carboxamide Compound and Use of the Same CBR3, H1-3, H1-0 TSHR 3874/4885KDM4E 1050/4885MEN1 1042/4885
US-20090076063-A1 Carboxamide compound and use of the same CBR3, SIRT2, SIRT1 TSHR 2270/4885KDM4E 988/4885MEN1 700/4885
US-20110172276-A1 CARBOXAMIDE COMPOUND AND USE OF THE SAME CBR3, SIRT2, SIRT1 TSHR 2270/4885KDM4E 988/4885MEN1 700/4885
US-20090111815-A1 Carboxamide Compound and Use of the Same NAA50, SIRT1, NQO2 TSHR 4219/4885KDM4E 742/4885MEN1 887/4885

“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.