SCHEMBL3435674

SCHEMBL3435674

O=C(O)c1csc(N2CC[C@H](O)C2)n1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 6/20 0.46
LDHA P00338 4/20 0.43
OGA O60502 1/20 0.41
HRH3 Q9Y5N1 2/20 0.39
ACKR3 P25106 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SCD O00767 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
SCHEMBL3435745 1.00 PTGER1 (0.46) PTGER1LDHAOGAHRH3ACKR3
SCHEMBL3435714 0.92 PTGER1 (0.46) PTGER1LDHAOGAHRH3KDM4E
SCHEMBL3435749 0.92 PTGER1 (0.46) PTGER1LDHAOGAHRH3KDM4E
SCHEMBL2078959 0.91 PTGER1 (0.48) PTGER1LDHAOGAHRH3SMN1; SMN2
SCHEMBL5724256 0.87 HRH3 (0.51) OGAHRH3ACKR3SMN1; SMN2SCD
SCHEMBL5723952 0.87 HRH3 (0.51) OGAHRH3ACKR3SMN1; SMN2SCD
SCHEMBL3550523 0.85 PTGER1 (0.46) PTGER1LDHAOGAHRH3KDM4E
SCHEMBL13161917 0.83 HRH3 (0.55) PTGER1HRH3ACKR3ALDH1A1SMN1; SMN2
SCHEMBL3435653 0.81 LDHA (0.44) PTGER1LDHAOGAKDM4EALDH1A1
SCHEMBL13634311 0.81 HRH3 (0.47) PTGER1LDHAOGAHRH3KDM4E

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-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 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
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 (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 PTGER1 1115/4885LDHA 2568/4885OGA 2003/4885

“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.