SCHEMBL12417653

SCHEMBL12417653

CNC(=O)c1c(O)c(F)c(C)n(C(C)C)c1=O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
TSHR P16473 1/20 0.34
KCNH2 Q12809 2/20 0.33
HTR4 Q13639 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
GLA P06280 2/20 0.32
GAA P10253 2/20 0.32
HPGD P15428 2/20 0.32
CASP1 P29466 2/20 0.32
CASP7 P55210 2/20 0.32
HSD17B10 Q99714 2/20 0.32
PKM P14618 1/20 0.32
TAS1R3 Q7RTX0 3/20 0.31
TAS1R1 Q7RTX1 3/20 0.31
TAS1R2 Q8TE23 3/20 0.31
CDK2 P24941 1/20 0.30

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
SCHEMBL12417634 0.84 HTT (0.39) POLBHTTTSHRKCNH2HTR4
SCHEMBL12417652 0.82 POLB (0.35) POLBHTTTSHRKCNH2HTR4
SCHEMBL12417647 0.80 TSHR (0.39) TSHRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL12417651 0.76 TSHR (0.48) HTTTSHRKDM4EALDH1A1HPGD
SCHEMBL12417627 0.71 KDM4E (0.40) POLBHTTTSHRKDM4EALDH1A1
SCHEMBL12417645 0.71 TSHR (0.41) POLBHTTTSHRKDM4EALDH1A1
SCHEMBL12417637 0.68 TSHR (0.37) POLBHTTTSHRKDM4EALDH1A1
SCHEMBL12417620 0.66 TSHR (0.40) HTTTSHRKDM4EALDH1A1GAA
SCHEMBL14625045 0.64 MEN1 (0.41) HTTTSHRKDM4EALDH1A1HPGD
SCHEMBL12417654 0.64 TSHR (0.39) TSHRKDM4EALDH1A1HPGD

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-7943638-B2 Carboxamide compound and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-17 US disclosed
US-7943614-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-20090111815-A1 Carboxamide Compound and Use of the Same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-04-30 US disclosed
US-20090111852-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 POLB 2775/4885HTT 1609/4885TSHR 3874/4885
US-20090076063-A1 Carboxamide compound and use of the same CBR3, SIRT2, SIRT1 POLB 2648/4885HTT 1488/4885TSHR 2270/4885
US-20110172276-A1 CARBOXAMIDE COMPOUND AND USE OF THE SAME CBR3, SIRT2, SIRT1 POLB 2648/4885HTT 1488/4885TSHR 2270/4885
US-20090111815-A1 Carboxamide Compound and Use of the Same NAA50, SIRT1, NQO2 POLB 2378/4885HTT 2001/4885TSHR 4219/4885

“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.