SCHEMBL12417645

SCHEMBL12417645

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
MEN1 O00255 10/20 0.34
KMT2A Q03164 10/20 0.34
KDM4E B2RXH2 6/20 0.34
HTT P42858 4/20 0.34
USP2 O75604 4/20 0.34
HSD17B10 Q99714 3/20 0.34
ALDH1A1 P00352 6/20 0.33
HPGD P15428 4/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL12417636 0.86 TSHR (0.42) TSHRMEN1KMT2AKDM4EHTT
SCHEMBL12417651 0.85 TSHR (0.48) TSHRMEN1KMT2AKDM4EHTT
SCHEMBL12417658 0.84 TSHR (0.41) TSHRMEN1KMT2AKDM4EHTT
SCHEMBL12417615 0.75 RAB9A (0.46) TSHRMEN1KMT2AKDM4EHTT
SCHEMBL12417647 0.74 TSHR (0.39) TSHRMEN1KMT2AKDM4EHSD17B10
SCHEMBL14625045 0.73 MEN1 (0.41) TSHRMEN1KMT2AKDM4EHTT
SCHEMBL12417638 0.72 TSHR (0.39) TSHRMEN1KMT2AKDM4EHTT
SCHEMBL12417653 0.71 POLB (0.35) TSHRKDM4EHTTHSD17B10ALDH1A1
SCHEMBL12417631 0.70 TSHR (0.50) TSHRMEN1KMT2AKDM4EHTT
SCHEMBL12417655 0.68 TSHR (0.48) TSHRMEN1KMT2AKDM4EHTT

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 3874/4885MEN1 1042/4885KMT2A 298/4885
US-20090076063-A1 Carboxamide compound and use of the same CBR3, SIRT2, SIRT1 TSHR 2270/4885MEN1 700/4885KMT2A 361/4885
US-20110172276-A1 CARBOXAMIDE COMPOUND AND USE OF THE SAME CBR3, SIRT2, SIRT1 TSHR 2270/4885MEN1 700/4885KMT2A 361/4885
US-20090111815-A1 Carboxamide Compound and Use of the Same NAA50, SIRT1, NQO2 TSHR 4219/4885MEN1 887/4885KMT2A 482/4885

“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.