SCHEMBL4096923

SCHEMBL4096923

Cc1oc(-c2cccc(OS(C)(=O)=O)c2)nc1CCl

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 5/20 0.47
KMT2A Q03164 4/20 0.46
TSHR P16473 4/20 0.46
MEN1 O00255 3/20 0.46
TP53 P04637 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPK1 P28482 1/20 0.46
THRB P10828 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL2329392 0.83 ALDH1A1 (0.61) ALDH1A1KDM4EMAPTKMT2ATSHR
Hydrochloric Acid SCHEMBL3727637 0.82 ALDH1A1 (0.60) ALDH1A1KDM4EMAPTKMT2ATSHR
SCHEMBL4845475 0.81 SMN1; SMN2 (0.51) ALDH1A1KDM4EMAPTKMT2ATSHR
SCHEMBL1436140 0.77 MAPT (0.49) ALDH1A1MAPTKMT2ATSHRMEN1
SCHEMBL2080844 0.77 KDR (0.65) ALDH1A1KDM4EMAPTKMT2ATSHR
SCHEMBL1436230 0.76 MAPT (0.56) KDM4EMAPTTSHRTP53MAPK1
SCHEMBL12617388 0.75 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTKMT2ATSHR
SCHEMBL4844000 0.75 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTKMT2ATSHR
SCHEMBL4854116 0.75 KDR (0.56) ALDH1A1KDM4EMAPTKMT2ATSHR
SCHEMBL5103142 0.75 RXFP1 (0.52) ALDH1A1KDM4EMAPTKMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054435-A1 Phenoxyalkanoic Acid Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-26 US disclosed
US-7368578-B2 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-06 US disclosed
EP-1911738-A1 PHENOXYALKANOIC ACID COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP disclosed
US-20060135578-A1 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-22 US disclosed
EP-1541564-A1 FIVE-MEMBERED HETEROCYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2005-06-15 EP 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 (2 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-20090054435-A1 Phenoxyalkanoic Acid Compound PNLIP, GPR119, LIPC ALDH1A1 426/4885KDM4E 310/4885MAPT 3533/4885
US-20060135578-A1 Five-membered heterocyclic compounds GPR119, OR10J3, CYP11B1 ALDH1A1 821/4885KDM4E 719/4885MAPT 4700/4885

“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.