SCHEMBL4135579

SCHEMBL4135579

CN(Cc1nc(-c2ccccc2F)c(S(=O)(=O)c2ccc(Cl)nc2)s1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.36
PTGS2 P35354 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.35
FFAR1 O14842 1/20 0.35
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
NFE2L2 Q16236 1/20 0.34
PTPN22 Q9Y2R2 1/20 0.34
MAPT P10636 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA5A P35218 1/20 0.33
CA9 Q16790 1/20 0.33
CA5B Q9Y2D0 1/20 0.33

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
SCHEMBL4125986 0.90 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL3652359 0.88 ALDH1A1 (0.35) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL4118507 0.88 CA12 (0.37) ALDH1A1MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL3652363 0.87 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL4132293 0.85 NAMPT (0.39) KMT2ASMN1; SMN2CA12CA1CA2
SCHEMBL4135584 0.82 GAA (0.39) ALDH1A1TDP1L3MBTL1SMN1; SMN2PTGS2
SCHEMBL4120389 0.82 HTR1A (0.33) ALDH1A1KMT2ATRPM8CA12CA1
Hydrochloric Acid SCHEMBL3654381 0.81 PTGS2 (0.38) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL4129175 0.81 KAT6A (0.37) ALDH1A1MEN1KMT2ATDP1SMN1; SMN2
SCHEMBL3653735 0.79 TAS2R14 (0.39) HSD17B2NFE2L2MAPTGAA

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.