SCHEMBL6415801

SCHEMBL6415801

CC(C)NC(=O)c1ccc(F)cc1F

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
CES2 O00748 2/20 0.55
CES1 P23141 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.50
SNCA P37840 1/20 0.48
PSMB5 P28074 1/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MAPT P10636 1/20 0.47
ALOX5 P09917 1/20 0.46
MAPK14 Q16539 1/20 0.46
GAA P10253 2/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CTSB P07858 1/20 0.44

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
SCHEMBL24568246 0.86 CES2 (0.52) ALDH1A1CES2CES1L3MBTL1SNCA
SCHEMBL7137660 0.86 CES2 (0.55) ALDH1A1CES2CES1PSMB5NPC1
SCHEMBL12121133 0.84 ALDH1A1 (0.47) ALDH1A1NPC1ALOX5GAACTSB
SCHEMBL24571696 0.84 ALDH1A1 (0.47) ALDH1A1NPC1ALOX5GAA
SCHEMBL30441657 0.84 ALDH1A1 (0.47) ALDH1A1NPC1ALOX5GAA
SCHEMBL17993972 0.83 ALDH1A1 (0.46) ALDH1A1MAPTALOX5GAATP53
SCHEMBL7970254 0.83 ALOX5 (0.64) ALDH1A1ALOX5GAA
SCHEMBL883600 0.83 HPGD (0.56) ALDH1A1NPC1RAB9AMAPTGAA
SCHEMBL17658889 0.83 MCL1 (0.46) ALDH1A1NPC1RAB9AMAPTALOX5
SCHEMBL3345916 0.83 DGAT1 (0.54) ALDH1A1L3MBTL1NPC1RAB9AALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340577-A1 GCN2 INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2022-10-27 US disclosed
WO-2022140428-A2 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2022-06-30 WO disclosed
US-10988477-B2 GCN2 inhibitors and uses thereof MERCK PATENT GMBH (DE) 2021-04-27 US disclosed
WO-2021013561-A1 PESTICIDAL PYRAZOLE AND TRIAZOLE DERIVATIVES BASF SE (DE) 2021-01-28 WO disclosed
US-20190233425-A1 GCN2 INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 US disclosed
WO-2019148132-A1 GCN2 INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 WO disclosed
US-7576117-B1 Cyclic amine CCR3 antagonist TEIJIN LIMITED (JP) 2009-08-18 US disclosed
US-6936736-B2 Amide derivative SUMITOMO MANUFACTURING COMPANY LIMITED (JP) 2005-08-30 US disclosed
EP-1034783-B1 AMIDE DERIVATIVES FOR THE TREATMENT OF RETINAL NEURODEGENERATIVE DISORDERS SUMITOMO PHARMA (JP) 2004-12-15 EP disclosed
US-20020147204-A1 Amide derivative SUMITOMO PHARMACEUTICALS COMPANY, LIMITED 2002-10-10 US disclosed
US-6384033-B1 DRUGS FOR VISION DEFECTS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2002-05-07 US disclosed
EP-1034783-A1 AMIDE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-09-13 EP 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-20220340577-A1 GCN2 INHIBITORS AND USES THEREOF EIF2AK4, GCN1, GCGR ALDH1A1 4414/4885CES2 1051/4885CES1 1230/4885
US-20020147204-A1 Amide derivative ALDH1A2, NR1H2, HDAC3 ALDH1A1 202/4885CES2 3713/4885CES1 1026/4885
US-10988477-B2 GCN2 inhibitors and uses thereof EIF2AK4, GCN1, EIF2AK1 ALDH1A1 4754/4885CES2 4126/4885CES1 4005/4885
US-20190233425-A1 GCN2 INHIBITORS AND USES THEREOF EIF2AK4, GCN1, GCGR ALDH1A1 4414/4885CES2 1051/4885CES1 1230/4885

“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.