SCHEMBL3613440

SCHEMBL3613440

C[C@H](c1ncc(Br)cc1F)N(C(=O)O)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.33
ACACB O00763 1/20 0.33
BMP1 P13497 1/20 0.31
ABHD6 Q9BV23 1/20 0.30
AAK1 Q2M2I8 1/20 0.30
BDKRB1 P46663 1/20 0.30

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
SCHEMBL590717 0.86 AGBL2 (0.34) BDKRB1
SCHEMBL30615155 0.86 AGBL2 (0.34) BDKRB1
SCHEMBL4983679 0.75 APLNR (0.41) BMP1AAK1
SCHEMBL588789 0.73 ALDH1A1 (0.40) IDH1
SCHEMBL588787 0.73 ALDH1A1 (0.40) IDH1
SCHEMBL3122585 0.71 ACACB (0.42) IDH1ACACBBDKRB1
SCHEMBL2947627 0.71 ACACB (0.42) IDH1ACACBBDKRB1
SCHEMBL16505078 0.71 ACACB (0.36) IDH1ACACB
SCHEMBL20578375 0.71 ABHD6 (0.32) ABHD6
SCHEMBL20578372 0.71 ABHD6 (0.32) ABHD6

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-7816380-B2 1-hydroxycycloalkanecarboxamide derivatives MERCK SHARP & DOHME CORP. (US) 2010-10-19 US disclosed
US-20090062349-A1 1-Hydroxycycloalkanecarboxamide derivatives MERCK SHARP & DOHME LLC 2009-03-05 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-20090062349-A1 1-Hydroxycycloalkanecarboxamide derivatives BDKRB1, BDKRB2, HRH4 IDH1 3085/4885ACACB 3488/4885BMP1 1067/4885

“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.