SCHEMBL4126439

SCHEMBL4126439

COc1ccc(S(=O)(=O)c2cc(CN(C)C(=O)O)nn2-c2ccccc2Cl)cn1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
TAS2R14 Q9NYV8 1/20 0.40
SLC16A3 O15427 7/20 0.39
SLC16A1 P53985 6/20 0.39
OXTR P30559 2/20 0.38
AVPR2 P30518 1/20 0.38
AVPR1A P37288 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
NAMPT P43490 2/20 0.35
MEN1 O00255 2/20 0.35
TSHR P16473 1/20 0.35
PABPC1 P11940 1/20 0.34

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
SCHEMBL3697025 0.90 TAS2R14 (0.40) KMT2AALDH1A1LMNATAS2R14SLC16A3
SCHEMBL3698155 0.89 HTR2C (0.41) KMT2AALDH1A1LMNATAS2R14SLC16A3
SCHEMBL3702449 0.89 ALDH1A1 (0.44) KMT2AALDH1A1SLC16A3SLC16A1SMN1; SMN2
SCHEMBL4135860 0.88 SLC16A3 (0.37) KMT2AALDH1A1SLC16A3SLC16A1SMN1; SMN2
SCHEMBL3698156 0.88 KMT2A (0.38) KMT2AALDH1A1LMNATAS2R14SLC16A3
SCHEMBL3696956 0.88 SLC16A3 (0.40) KMT2AALDH1A1LMNASLC16A3SLC16A1
SCHEMBL3698987 0.84 SLC16A3 (0.40) SLC16A3SLC16A1
SCHEMBL4126098 0.84 NAMPT (0.39) KMT2ALMNASLC16A3SLC16A1NAMPT
SCHEMBL4126447 0.83 NAMPT (0.41) KMT2AALDH1A1LMNATAS2R14SLC16A3
Fumaric Acid SCHEMBL3706208 0.83 HTR2C (0.37) KMT2AALDH1A1LMNATAS2R14SLC16A3

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 KMT2A 4776/4885ALDH1A1 1497/4885LMNA 4283/4885

“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.