SCHEMBL887425

SCHEMBL887425

CC(=O)C(C(C)=O)C(NC(=O)OC(C)(C)C)c1ccc(Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
RECQL P46063 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CTSS P25774 3/20 0.44
CTSK P43235 3/20 0.44
AAK1 Q2M2I8 10/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
CACNA1B Q00975 1/20 0.39
HTT P42858 1/20 0.37
CTSB P07858 1/20 0.37

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
SCHEMBL887419 0.87 PPARG (0.42) NPC1RAB9ASMN1; SMN2CTSSCTSK
SCHEMBL887428 0.86 CTSS (0.44) CTSSCTSKAAK1MAPTMEN1
SCHEMBL27238091 0.85 MEN1 (0.50) CYP1A2NPC1RAB9ARECQLSMN1; SMN2
SCHEMBL14327800 0.85 CTSK (0.51) CTSSCTSKMAPTCTSB
SCHEMBL15788225 0.85 MEN1 (0.50) CYP1A2NPC1RAB9ARECQLSMN1; SMN2
SCHEMBL27238083 0.85 MEN1 (0.50) CYP1A2NPC1RAB9ARECQLSMN1; SMN2
SCHEMBL887458 0.85 CTSK (0.51) CTSSCTSKMAPTCTSB
SCHEMBL13168624 0.85 CTSK (0.51) CTSSCTSKMAPTCTSB
SCHEMBL887449 0.84 ABCB1 (0.49) RAB9ACTSSCTSKALDH1A1MAPT
SCHEMBL31582480 0.84 NPC1 (0.46) CYP1A2NPC1RAB9ARECQLSMN1; SMN2

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-7902207-B2 Process for production of amines TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-03-08 US disclosed
US-20070142639-A1 Process for production of amines TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-06-21 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-20070142639-A1 Process for production of amines SMS, CCNT1, PEAK1 CYP1A2 287/4885NPC1 4678/4885RAB9A 2669/4885

“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.