SCHEMBL3550331

SCHEMBL3550331

C[C@H]1CCCN1c1nc(C(=O)O)cs1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 7/20 0.46
LDHA P00338 2/20 0.45
DNM1L O00429 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
HPGD P15428 2/20 0.39
USP2 O75604 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
OGA O60502 1/20 0.38
TRPC3 Q13507 1/20 0.37
TRPC6 Q9Y210 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
SCHEMBL15888536 0.82 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1KDM4EGAACYP1A2
SCHEMBL12375315 0.80 PTGER1 (0.73) PTGER1
SCHEMBL20594891 0.80 IRAK4 (0.51) PTGER1LDHASMN1; SMN2ALDH1A1KDM4E
SCHEMBL10278349 0.80 IRAK4 (0.51) PTGER1LDHASMN1; SMN2ALDH1A1KDM4E
SCHEMBL29064995 0.79 ADORA2A (0.43) PTGER1LDHACYP1A2
SCHEMBL30295682 0.79 ADORA2A (0.43) PTGER1LDHACYP1A2
SCHEMBL21875377 0.78 SMN1; SMN2 (0.52) DNM1LSMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL3556057 0.77 L3MBTL1 (0.46) DNM1LSMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL13270380 0.76 LDHA (0.47) PTGER1LDHASMN1; SMN2ALDH1A1KDM4E
SCHEMBL13999772 0.75 ALDH1A1 (0.39) DNM1LSMN1; SMN2ALDH1A1GAAHPGD

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-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-30 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 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-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF TRPV1, FGFR3, GPR17 PTGER1 877/4885LDHA 3123/4885DNM1L 2310/4885
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 PTGER1 1115/4885LDHA 2568/4885DNM1L 2818/4885

“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.