SCHEMBL4125986

SCHEMBL4125986

CN(Cc1nc(-c2cccnc2F)c(S(=O)(=O)c2ccc(Cl)nc2)s1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 1/20 0.33
PTPN22 Q9Y2R2 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
DHODH Q02127 1/20 0.32
NAMPT P43490 1/20 0.32
ROCK2 O75116 1/20 0.32
CYP2C19 P33261 1/20 0.31
GPBAR1 Q8TDU6 1/20 0.31

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
SCHEMBL4135579 0.90 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL3650452 0.88 ALDH1A1 (0.33) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL4131238 0.88 NAMPT (0.37) NAMPTGPBAR1
SCHEMBL4139202 0.88 DHODH (0.35) ALDH1A1MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL4118448 0.88 DHODH (0.33) DHODHROCK2GPBAR1
SCHEMBL3650455 0.87 ALDH1A1 (0.35) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL4125426 0.86 HTR2A (0.37) MEN1KMT2ADHODH
SCHEMBL4127577 0.84 HTR6 (0.38) DHODH
SCHEMBL4125989 0.83 GAA (0.36) ALDH1A1TDP1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL4126631 0.83 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ATDP1L3MBTL1

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 ALDH1A1 1497/4885MEN1 1910/4885KMT2A 4776/4885

“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.