SCHEMBL4983684

SCHEMBL4983684

CC(C)(C)C[C@@H](NC(=O)O)c1ccc(Br)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.39
AAK1 Q2M2I8 2/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
APLNR P35414 4/20 0.37
DGAT1 O75907 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ACACB O00763 1/20 0.35
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
HPGD P15428 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP7 P09237 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33

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
SCHEMBL15092388 0.77 FPR2 (0.44) FPR2ALDH1A1L3MBTL1APLNRDGAT1
SCHEMBL27008783 0.77 FPR2 (0.44) FPR2ALDH1A1L3MBTL1APLNRDGAT1
SCHEMBL4985171 0.76 ROCK1 (0.41) AAK1DGAT1
SCHEMBL17927648 0.75 PDE2A (0.44) AAK1APLNRDGAT1MAPT
SCHEMBL30557262 0.74 APLNR (0.40) FPR2AAK1ALDH1A1L3MBTL1APLNR
SCHEMBL30682679 0.71 ALDH1A1 (0.38) FPR2ALDH1A1L3MBTL1DGAT1NPC1
SCHEMBL588788 0.71 KDM4E (0.38) ALDH1A1NPC1RAB9AKDM4E
SCHEMBL2545345 0.70 FPR2 (0.41) FPR2ALDH1A1L3MBTL1APLNRDGAT1
SCHEMBL14720356 0.69 APLNR (0.42) FPR2ALDH1A1APLNRDGAT1RAB9A
SCHEMBL1679175 0.68 PTGS1 (0.51) FPR2APLNRDGAT1MMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332499-B2 Sulfonyl substituted n-(biarylmethyl) aminocyclopropanecarboxamides MERCK & CO., INC. (US) 2008-02-19 US disclosed
US-20060247229-A1 Sulfonyl substituted n-(biarylmethyl) aminocyclopropanecarboxamides MERCK SHARP & DOHME CORP. 2006-11-02 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 (1 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-20060247229-A1 Sulfonyl substituted n-(biarylmethyl) aminocyclopropanecarboxamides BDKRB1, BDKRB2, CNR2 FPR2 49/4885AAK1 836/4885ALDH1A1 4270/4885

“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.