SCHEMBL1610508

SCHEMBL1610508

CC(C)(C)OC(=O)Nc1c(F)cccc1F

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.53
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.46
ATR Q13535 1/20 0.44
SYK P43405 1/20 0.44
LCK P06239 2/20 0.43
PDE4D Q08499 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
CYP17A1 P05093 1/20 0.40
NAMPT P43490 1/20 0.40

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
SCHEMBL5349934 0.90 LCK (0.51) NLRP3ATRSYKLCK
SCHEMBL31167626 0.90 LCK (0.51) NLRP3ATRSYKLCK
SCHEMBL29741502 0.89 HDAC1 (0.51) NLRP3ALDH1A1KMT2AATRSYK
SCHEMBL23054108 0.89 HTT (0.45) NLRP3ALDH1A1KMT2AATRSYK
SCHEMBL660566 0.89 NLRP3 (0.43) NLRP3ALDH1A1KMT2AATRSYK
SCHEMBL4922310 0.88 LMNA (0.43) NLRP3ALDH1A1ATRSYKLCK
SCHEMBL14908404 0.88 KMT2A (0.49) NLRP3ALDH1A1KMT2AATRSYK
SCHEMBL1006953 0.88 NLRP3 (0.43) NLRP3ALDH1A1KMT2AATRSYK
SCHEMBL29956316 0.88 NLRP3 (0.43) NLRP3ALDH1A1KMT2AATRSYK
SCHEMBL1346055 0.88 ALB (0.44) NLRP3ALDH1A1KMT2AATRSYK

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118044519-A Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2024-05-17 CN disclosed
CN-110072842-B Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2024-02-02 CN disclosed
US-8461345-B2 Processes for producing phenyl-6-(1-(phenyl)ureido)nicotinamides) VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-11 US disclosed
US-8461345-B2 Processes for producing phenyl-6-(1-(phenyl)ureido)nicotinamides) VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-11 US disclosed
US-8461345-B2 Processes for producing phenyl-6-(1-(phenyl)ureido)nicotinamides) VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-11 US disclosed
EP-2562158-A1 Processes for the preparation of n-heteroaryl-N-aryl-amines by reacting an N-aryl carbamic acid ester with a halo-heteroaryl and analogous processes Vertex Pharmaceuticals Incorporated (US) 2013-02-27 EP disclosed
EP-2562158-A1 Processes for the preparation of n-heteroaryl-N-aryl-amines by reacting an N-aryl carbamic acid ester with a halo-heteroaryl and analogous processes Vertex Pharmaceuticals Incorporated (US) 2013-02-27 EP disclosed
EP-1603878-B1 PROCESSES FOR THE PREPARATION OF N-HETEROARYL-N-ARYL-AMINES BY REACTING AN N-ARYL CARBAMIC ACID ESTER WITH A HALO-HETEROARYL AND ANALOGOUS PROCESSES VERTEX PHARMA (US) 2013-01-02 EP disclosed
EP-1603878-B1 PROCESSES FOR THE PREPARATION OF N-HETEROARYL-N-ARYL-AMINES BY REACTING AN N-ARYL CARBAMIC ACID ESTER WITH A HALO-HETEROARYL AND ANALOGOUS PROCESSES VERTEX PHARMA (US) 2013-01-02 EP disclosed
US-20120316345-A1 PROCESSES FOR PRODUCING PHENYL-6-(1-(PHENYL)UREIDO)NICOTINAMIDES) VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-13 US disclosed
WO-2010038428-A1 ALTERNATIVE AGENT TO TAXANE ANTI-CANCER AGENT 武田薬品工業株式会社 (JP) 2010-04-08 WO disclosed
CN-100579965-C Process for preparing N-heteroaryl-N-arylamines by reacting N-aryl carbamates with haloheteroaryls and analogous processes VERTEX PHARMA CO LTD 2010-01-13 CN disclosed
US-20070173649-A1 Processes for the facile synthesis of diaryl amines and analogues thereof VERTEX PHARMACEUTICALS INCORPORATED 2007-07-26 US disclosed
US-20070173649-A1 Processes for the facile synthesis of diaryl amines and analogues thereof VERTEX PHARMACEUTICALS INCORPORATED 2007-07-26 US disclosed
US-20070173649-A1 Processes for the facile synthesis of diaryl amines and analogues thereof VERTEX PHARMACEUTICALS INCORPORATED 2007-07-26 US disclosed
US-7115746-B2 Processes for the facile synthesis of diaryl amines and analogues thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-10-03 US disclosed
CN-1761653-A Process for preparing N-heteroaryl-N-arylamines by reacting N-aryl carbamates with haloheteroaryls and analogous processes VERTEX PHARMA (US) 2006-04-19 CN disclosed
EP-1603878-A1 PROCESSES FOR THE PREPARATION OF N-HETEROARYL-N-ARYL-AMINES BY REACTING AN N-ARYL CARBAMIC ACID ESTER WITH A HALO-HETEROARYL AND ANALOGOUS PROCESSES Vertex Pharmaceuticals Incorporated (US) 2005-12-14 EP disclosed
US-20040230058-A1 Processes for the facile synthesis of diaryl amines and analogues thereof VERTEX PHARMACEUTICALS INCORPORATED 2004-11-18 US disclosed
WO-2004072038-A1 PROCESSES FOR THE PREPARATION OF N-HETEROARYL-N-ARYL-AMINES BY REACTING AN N-ARYL CARBAMIC ACID ESTER WITH A HALO-HETEROARYL AND ANALOGOUS PROCESSES VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-08-26 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-20040230058-A1 Processes for the facile synthesis of diaryl amines and analogues thereof ABL1, PNMT, MAOA NLRP3 2966/4885ALDH1A1 599/4885KMT2A 375/4885
US-20070173649-A1 Processes for the facile synthesis of diaryl amines and analogues thereof ABL1, PNMT, MAOA NLRP3 2966/4885ALDH1A1 599/4885KMT2A 375/4885
US-20120316345-A1 PROCESSES FOR PRODUCING PHENYL-6-(1-(PHENYL)UREIDO)NICOTINAMIDES) MAPK1, NADK, NAMPT NLRP3 1017/4885ALDH1A1 1275/4885KMT2A 2811/4885

“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.