SCHEMBL4131857

SCHEMBL4131857

CN(Cc1nc(-c2ccccc2F)c(Sc2cccc(C=O)c2)s1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTR2C P28335 1/20 0.31
ACKR3 P25106 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL4125425 0.88 ALDH1A1 (0.36) MAPTSMN1; SMN2ACKR3KDM4EALDH1A1
SCHEMBL3647074 0.88 GLS (0.34) HTR2C
SCHEMBL3807952 0.87 MAPT (0.33) MAPTSMN1; SMN2HTR2CACKR3KDM4E
SCHEMBL3647079 0.87
SCHEMBL4131683 0.85 EDNRA (0.40) MAPTSMN1; SMN2
SCHEMBL4120348 0.83 PPARG (0.35) MAPTKDM4EALDH1A1
SCHEMBL4131864 0.82 MAPT (0.35) MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL4126512 0.81 KDM4E (0.38) SMN1; SMN2HTR2CKDM4EALDH1A1
SCHEMBL3647076 0.79 CTSA (0.31) MAPTALDH1A1
SCHEMBL4129846 0.79 ALDH1A1 (0.33) MAPTACKR3KDM4EALDH1A1

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
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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-20090156642-A1 5-Membered heterocyclic compound CEL, PGA5, COG5 MAPT 4258/4885SMN1; SMN2 4327/4885HTR2C 2565/4885

“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.