SCHEMBL21135383

SCHEMBL21135383

CC(C)(C)OC(=O)NCc1c(F)cccc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
LMNA P02545 1/20 0.49
CACNA1H O95180 1/20 0.44
CACNA1B Q00975 1/20 0.44
CACNA1C Q13936 1/20 0.44
CYP3A4 P08684 2/20 0.43
SCN9A Q15858 2/20 0.43
CD38 P28907 9/20 0.43
KCNH2 Q12809 1/20 0.43
KDM4A O75164 1/20 0.42
KLKB1 P03952 3/20 0.42
STIM1 Q13586 1/20 0.40
ORAI1 Q96D31 1/20 0.40
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL29592899 1.00 POLB (0.49) POLBLMNACACNA1HCACNA1BCACNA1C
SCHEMBL18685091 0.89 KDM4A (0.48) POLBSCN9AKDM4AMAPK1ATM
SCHEMBL25306120 0.83 KDM4A (0.44) POLBSCN9AKDM4AMAPK1ATM
SCHEMBL18685355 0.83 KDM4A (0.44) POLBSCN9AKDM4AMAPK1ATM
SCHEMBL29473241 0.82 KDM4A (0.43) POLBSCN9AKDM4AMAPK1ATM
SCHEMBL21987975 0.82 HDAC1 (0.46) POLBSCN9AKDM4AMAPK1ATM
SCHEMBL3127618 0.82 KDM4A (0.43) POLBSCN9AKDM4AMAPK1ATM
SCHEMBL29473242 0.82 KDM4A (0.43) POLBSCN9AKDM4AMAPK1ATM
SCHEMBL29076001 0.82 POLB (0.44) POLBLMNACYP3A4SCN9AKDM4A
SCHEMBL20049207 0.82 LMNA (0.48) POLBLMNACACNA1HCACNA1BCACNA1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111333548-B Preparation method of 1- (2-fluoro-6- (trifluoromethyl) benzyl) urea 江苏海悦康医药科技有限公司 2022-04-26 CN claimed
CN-111333548-A Preparation method of 1- (2-fluoro-6- (trifluoromethyl) benzyl) urea 江苏海悦康医药科技有限公司 2020-06-26 CN claimed
US-11377426-B2 Processes to produce elagolix SUZHOU PENGXU PHARMATECH CO., LTD. (CN) 2022-07-05 US disclosed
CN-111333548-B Preparation method of 1- (2-fluoro-6- (trifluoromethyl) benzyl) urea 江苏海悦康医药科技有限公司 2022-04-26 CN disclosed
CN-111333548-B Preparation method of 1- (2-fluoro-6- (trifluoromethyl) benzyl) urea 江苏海悦康医药科技有限公司 2022-04-26 CN disclosed
US-20210214318-A1 PROCESSES TO PRODUCE ELAGOLIX SUZHOU PENGXU PHARMATECH CO., LTD. (CN) 2021-07-15 US disclosed
US-20210078956-A1 PROCESS FOR PREPARING ELAGOLIX SODIUM AND INTERMEDIATES THEREOF SCINOPHARM TAIWAN, LTD. (TW) 2021-03-18 US disclosed
CN-111333548-A Preparation method of 1- (2-fluoro-6- (trifluoromethyl) benzyl) urea 江苏海悦康医药科技有限公司 2020-06-26 CN disclosed
CN-111333548-A Preparation method of 1- (2-fluoro-6- (trifluoromethyl) benzyl) urea 江苏海悦康医药科技有限公司 2020-06-26 CN disclosed
WO-2019112968-A1 PROCESSES TO PRODUCE ELAGOLIX WANG PENG (US) 2019-06-13 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 (3 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-20210214318-A1 PROCESSES TO PRODUCE ELAGOLIX ELAVL1, ELOB, ELOVL3 POLB 300/4885LMNA 3009/4885CACNA1H 4852/4885
US-20210078956-A1 PROCESS FOR PREPARING ELAGOLIX SODIUM AND INTERMEDIATES THEREOF OGG1, ELP1, UNG POLB 40/4885LMNA 312/4885CACNA1H 4851/4885
US-11377426-B2 Processes to produce elagolix ELAVL1, ELOB, ELOVL3 POLB 300/4885LMNA 3009/4885CACNA1H 4852/4885

“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.