SCHEMBL6519772

SCHEMBL6519772

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.41
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
ALDH1A1 P00352 4/20 0.40
PDE2A O00408 3/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HDAC3 O15379 3/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
AAK1 Q2M2I8 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 3/20 0.36
GAA P10253 1/20 0.36
NMT1 P30419 1/20 0.36
FPR2 P25090 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL12614400 0.87 PTGDR2 (0.40) DGAT1NPC1RAB9AALDH1A1LMNA
SCHEMBL4983690 0.84 DGAT1 (0.39) DGAT1NPC1RAB9AALDH1A1LMNA
SCHEMBL17645913 0.80 MEN1 (0.50) PDE2ASMN1; SMN2HDAC3HDAC1HDAC2
SCHEMBL1328840 0.75 DGAT1 (0.42) DGAT1NPC1RAB9AALDH1A1LMNA
SCHEMBL3993190 0.74 DGAT1 (0.41) DGAT1NPC1RAB9AALDH1A1LMNA
SCHEMBL4478221 0.74 KIF11 (0.39) DGAT1SMN1; SMN2HDAC3HDAC1HDAC2
SCHEMBL31292276 0.74 DGAT1 (0.41) DGAT1NPC1RAB9AALDH1A1LMNA
SCHEMBL17391120 0.74 PTGDR2 (0.43) DGAT1NPC1RAB9AALDH1A1LMNA
SCHEMBL16428016 0.74 PTGDR2 (0.38) DGAT1NPC1RAB9AALDH1A1LMNA
SCHEMBL9953037 0.73 PTGDR2 (0.40) DGAT1NPC1RAB9AALDH1A1LMNA

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
US-20210070708-A1 Pharmaceutically Active Compounds BERGENBIO ASA (NO) 2021-03-11 US disclosed
US-10766861-B2 Pharmaceutically active compounds BERGENBIO ASA (NO) 2020-09-08 US disclosed
US-10336702-B2 Pharmaceutically active compounds BERGENBIO ASA (NO) 2019-07-02 US disclosed
US-20180029985-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS BERGENBIO AS (NO) 2018-02-01 US disclosed
EP-3240784-A2 INHIBITORS OF AKT KINASE BerGenBio ASA (NO) 2017-11-08 EP disclosed
WO-2016102672-A2 PHARMACEUTICALLY ACTIVE COMPOUNDS BERGENBIO AS (NO) 2016-06-30 WO disclosed
US-20050171134-A1 4,5-Disubstituted-2-aminopyrimidines CELLTECH R&D LIMITED 2005-08-04 US disclosed
US-20040235876-A1 4,5-Disubstituted-2-aminopyrimidines CELLTECH R&D LIMITED 2004-11-25 US disclosed
US-20030212269-A1 4.5-disubstituted-2-aminopyrimidines DAVIS JEREMY MARTIN (GB) 2003-11-13 US disclosed
US-6600037-B1 The compounds are selective KDR kinase and/or FGFr kinase inhibitors and are of use in the prophylaxis and treatment of disease states associated with angiogenesis. CELLTECH R & D LIMITED (GB) 2003-07-29 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 (7 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-10336702-B2 Pharmaceutically active compounds UGT2B7, CYP3A5, UGT1A1 DGAT1 2612/4885NPC1 135/4885RAB9A 670/4885
US-20050171134-A1 4,5-Disubstituted-2-aminopyrimidines FLT1, FLT4, FGFR1 DGAT1 4782/4885NPC1 4265/4885RAB9A 1637/4885
US-20030212269-A1 4.5-disubstituted-2-aminopyrimidines FLT1, FGFR1, FLT4 DGAT1 4681/4885NPC1 2887/4885RAB9A 1376/4885
US-20040235876-A1 4,5-Disubstituted-2-aminopyrimidines FLT1, FGFR1, FLT4 DGAT1 4679/4885NPC1 2895/4885RAB9A 1384/4885
US-20210070708-A1 Pharmaceutically Active Compounds UGT2B7, CYP3A5, UGT1A1 DGAT1 2591/4885NPC1 157/4885RAB9A 655/4885
US-10766861-B2 Pharmaceutically active compounds UGT2B7, CYP3A5, UGT1A1 DGAT1 2591/4885NPC1 157/4885RAB9A 655/4885
US-20180029985-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS UGT2B7, CYP3A5, UGT1A1 DGAT1 2612/4885NPC1 135/4885RAB9A 670/4885

“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.