SCHEMBL4134961

SCHEMBL4134961

Cc1c(CCNC(=O)O)sc(S(=O)(=O)c2ccccc2)c1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 2/20 0.37
LMNA P02545 3/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35
CYP2C9 P11712 1/20 0.35
NAMPT P43490 1/20 0.35
PLAAT3 P53816 1/20 0.35
PLAAT5 Q96KN8 1/20 0.35
PLAAT2 Q9NWW9 1/20 0.35
PLAAT4 Q9UL19 1/20 0.35
PTGS2 P35354 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35

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
SCHEMBL4126798 0.76 CA2 (0.38) GAAALDH1A1MAPTUSP2TP53
SCHEMBL3650244 0.75 MEN1 (0.33) GAAALDH1A1MAPTLMNATHRB
SCHEMBL4125303 0.75 NAMPT (0.37) GAACYP2C9NAMPTNPC1RAB9A
Carbamic Acid SCHEMBL3648906 0.74 ANXA2 (0.33) GAAALDH1A1MAPTLMNAUSP2
SCHEMBL3650248 0.73 L3MBTL1 (0.34) GAAMAPTLMNAANXA2S100A10
SCHEMBL3650392 0.73 ALDH1A1 (0.50) GAAALDH1A1MAPTLMNATP53
SCHEMBL4138163 0.73 ALDH1A1 (0.42) GAAALDH1A1MAPTLMNAUSP2
SCHEMBL3650241 0.71 HTR2C (0.38) GAAMAPTLMNA
Carbamic Acid SCHEMBL3648907 0.71 HTT (0.34) GAAALDH1A1MAPTLMNAUSP2
Carbamic Acid SCHEMBL3648905 0.70 HTR2C (0.37) GAAMAPTNAMPT

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 GAA 7/4885ALDH1A1 1497/4885MAPT 4258/4885

“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.