SCHEMBL4131139

SCHEMBL4131139

CN(Cc1cc(S(=O)(=O)c2ccc(Cl)nc2)n(-c2cccc(F)c2Cl)n1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 2/20 0.34
LMNA P02545 2/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP2D6 P10635 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
MAPT P10636 2/20 0.32
LIMK2 P53671 2/20 0.32
NAMPT P43490 2/20 0.32
CYP2C9 P11712 1/20 0.32
HSD17B1 P14061 2/20 0.32

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
SCHEMBL4131514 0.93 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL3693029 0.93 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL3704727 0.93 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL3699795 0.92 P2RX7 (0.34) ALDH1A1MEN1KMT2ATDP1KDM4E
SCHEMBL4126504 0.90 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL4118153 0.89 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL3705902 0.88 HTR2C (0.39) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL4135426 0.88 NAMPT (0.36) L3MBTL1HTTNAMPTNFE2L2
SCHEMBL3705903 0.88 ALDH1A1 (0.35) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL3702449 0.87 ALDH1A1 (0.44) 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.