SCHEMBL3343329

SCHEMBL3343329

O=S(=O)(c1ccccc1F)N1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.58
PKLR P30613 1/20 0.58
KMT2A Q03164 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
MAPT P10636 2/20 0.56
LMNA P02545 2/20 0.55
TSHR P16473 2/20 0.55
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 1/20 0.55
PIK3CA P42336 1/20 0.53
MTOR P42345 1/20 0.53
MEN1 O00255 1/20 0.53
POLB P06746 1/20 0.53
GAA P10253 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.51
USP2 O75604 1/20 0.51

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
SCHEMBL14489596 0.84 TSHR (0.71) PKMPKLRKMT2AL3MBTL1TSHR
SCHEMBL20145597 0.82 TSHR (0.75) PKMPKLRKMT2AL3MBTL1TSHR
SCHEMBL19348478 0.81 KMT2A (0.67) PKMPKLRKMT2AL3MBTL1TSHR
SCHEMBL7650437 0.81 KMT2A (0.58) PKMPKLRKMT2AL3MBTL1TSHR
SCHEMBL3247291 0.81 CNR1 (0.56) KMT2AL3MBTL1MAPTTSHRPIK3CA
SCHEMBL4580127 0.81 PKM (0.76) PKMPKLRKMT2AMAPTTSHR
SCHEMBL2959409 0.80 KMT2A (0.65) PKMPKLRKMT2AL3MBTL1MAPT
SCHEMBL4578854 0.80 CNR1 (0.66) PKMPKLRKMT2AMAPTTSHR
SCHEMBL20627051 0.79 POLB (0.53) KMT2AL3MBTL1LMNATSHRALDH1A1
SCHEMBL1270038 0.79 KMT2A (0.53) KMT2AL3MBTL1LMNATSHRALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110312945-A1 CRTH2 MODULATORS IRONWOOD PHARMACEUTICALS, INC. 2011-12-22 US disclosed
US-20110312945-A1 CRTH2 MODULATORS IRONWOOD PHARMACEUTICALS, INC. 2011-12-22 US disclosed
US-20110312945-A1 CRTH2 MODULATORS IRONWOOD PHARMACEUTICALS, INC. 2011-12-22 US disclosed
WO-2010039982-A1 CRTH2 MODULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2010-04-08 WO disclosed
WO-2010039982-A1 CRTH2 MODULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2010-04-08 WO disclosed
EP-2074098-A2 QUINOLINE COMPOUNDS Wyeth (US) 2009-07-01 EP disclosed
WO-2008049047-A2 QUINOLINE COMPOUNDS WYETH (US) 2008-04-24 WO 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-20110312945-A1 CRTH2 MODULATORS HRH2, HRH1, NR1H2 PKM 3410/4885PKLR 2782/4885KMT2A 3805/4885

“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.