SCHEMBL3435890

SCHEMBL3435890

COC[C@@H](C)N(C)c1nc(C(=O)O)cs1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 3/20 0.36
PLA2G4A P47712 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
HCAR3 P49019 1/20 0.34
ECE1 P42892 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ACHE P22303 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GRM5 P41594 1/20 0.32

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
SCHEMBL3436066 1.00 THRB (0.40) THRBL3MBTL1ALDH1A1PLA2G4AMMP1
SCHEMBL3436042 0.84 RAB9A (0.49) THRBALDH1A1GAARAB9AMEN1
SCHEMBL15888548 0.84 RAB9A (0.49) THRBALDH1A1GAARAB9AMEN1
SCHEMBL3553091 0.78 THRB (0.38) THRBALDH1A1MEN1KMT2AKDM4E
SCHEMBL10278352 0.78 THRB (0.38) THRBALDH1A1MEN1KMT2AKDM4E
SCHEMBL3551333 0.77 ALDH1A1 (0.41) L3MBTL1ALDH1A1PLA2G4AMMP1MMP2
SCHEMBL13634317 0.77 ALDH1A1 (0.39) L3MBTL1ALDH1A1PLA2G4AMMP1MMP2
Hydrochloric Acid SCHEMBL2077470 0.76 ALDH1A1 (0.40) L3MBTL1ALDH1A1PLA2G4AMMP1MMP2
SCHEMBL13634281 0.75 MEN1 (0.38) THRBMEN1KMT2A
SCHEMBL3435935 0.75 L3MBTL1 (0.37) L3MBTL1ALDH1A1PLA2G4AMMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206707-B1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-07-23 EP disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 EP 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 THRB 1172/4885L3MBTL1 3267/4885ALDH1A1 975/4885

“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.