SCHEMBL3041121

SCHEMBL3041121

CC(C)(C)C(c1ccc(Oc2ccccc2)cc1)N(CCN)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.41
ACACA Q13085 2/20 0.41
UTS2R Q9UKP6 1/20 0.40
SRD5A2 P31213 1/20 0.40
PPARA Q07869 1/20 0.39
NPY5R Q15761 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PARP10 Q53GL7 1/20 0.38
LTA4H P09960 1/20 0.38
PLA2G2A P14555 1/20 0.38

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
SCHEMBL4068261 0.88 SLC6A2 (0.41) SMN1; SMN2MEN1KMT2A
SCHEMBL28068136 0.75 MEN1 (0.40) SMN1; SMN2MEN1KMT2A
SCHEMBL2205842 0.73 KDM1A (0.36) KMT2A
SCHEMBL17375909 0.70 SLC6A2 (0.44)
SCHEMBL3041118 0.68 HDAC3 (0.47) MEN1KMT2A
SCHEMBL3026494 0.68 NR3C1 (0.50) SRD5A2MEN1KMT2ALTA4H
SCHEMBL27823569 0.66 ALOX5 (0.50) ACACBACACASRD5A2NPY5RPARP10
SCHEMBL11533150 0.66 SRD5A2 (0.50) ACACBACACASRD5A2PPARANPY5R
SCHEMBL10828210 0.66 LTA4H (0.58) PPARASMN1; SMN2MEN1KMT2ALTA4H
SCHEMBL3326911 0.65 AOC3 (0.44) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569303-B2 Diamine derivatives as inhibitors of leukotriene A4 hydrolase CELTAXSYS, INC. (US) 2013-10-29 US disclosed
US-20100210630-A1 Diamine Derivatives as Inhibitors of Leukotriene A4 Hydrolase ESTRELLITA PHARMACEUTICALS, LLC 2010-08-19 US disclosed
US-7737145-B2 Diamine derivatives as inhibitors of leukotriene A4 hydrolase ESTRELLITA PHARMACEUTICALS, LLC (US) 2010-06-15 US disclosed
US-20070155726-A1 Diamine derivatives as inhibitors of leukotriene A4 hydrolase SCHERING AKTIENGESELLSCHAFT (DE) 2007-07-05 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 (2 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-20070155726-A1 Diamine derivatives as inhibitors of leukotriene A4 hydrolase LTA4H, LTB4R, LTC4S ACACB 2821/4885ACACA 1672/4885UTS2R 921/4885
US-20100210630-A1 Diamine Derivatives as Inhibitors of Leukotriene A4 Hydrolase LTA4H, LTB4R, LTC4S ACACB 2821/4885ACACA 1672/4885UTS2R 921/4885

“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.