SCHEMBL3490574

SCHEMBL3490574

Cc1ncc2c(c1OC(=O)CCC(=O)O)CO[C@H]2c1ccc(Cl)cc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 9/20 0.34
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
GLA P06280 2/20 0.33
GAA P10253 2/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
MDM2 Q00987 1/20 0.32
MAPK1 P28482 1/20 0.31
TP53 P04637 1/20 0.31
P2RY2 P41231 1/20 0.30

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
SCHEMBL636420 1.00 FFAR4 (0.34) FFAR4MAPTKDM4EGLAGAA
SCHEMBL636419 0.96 MAPT (0.33) FFAR4MAPTGAAKMT2AMAPK1
SCHEMBL3490573 0.96 MAPT (0.33) FFAR4MAPTGAAKMT2AMAPK1
SCHEMBL12673716 0.87 NR3C1 (0.33) MAPTGAAKMT2AALDH1A1HPGD
SCHEMBL3488954 0.87 MAPT (0.36) MAPTKMT2AALDH1A1MAPK1
SCHEMBL638387 0.87 MAPT (0.36) MAPTKMT2AALDH1A1MAPK1
SCHEMBL638386 0.86 MAPT (0.35) MAPTKDM4EGLAGAAKMT2A
SCHEMBL3488951 0.86 MAPT (0.35) MAPTKDM4EGLAGAAKMT2A
SCHEMBL10829680 0.85 ALDH1A1 (0.37) KDM4EKMT2AALDH1A1HPGDMDM2
SCHEMBL15850674 0.85 MAPT (0.34) MAPTKMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2326652-B1 NITRO DERIVATIVES OF FURASEMIDE AND THEIR USE AS DIURETICS MERCK SHARP & DOHME (US) 2014-04-16 EP claimed
US-20100029678-A1 DIURETICS MERCK SHARP & DOHME CORP. 2010-02-04 US claimed
EP-2326652-B1 NITRO DERIVATIVES OF FURASEMIDE AND THEIR USE AS DIURETICS MERCK SHARP & DOHME (US) 2014-04-16 EP disclosed
US-20100029678-A1 DIURETICS MERCK SHARP & DOHME CORP. 2010-02-04 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-20100029678-A1 DIURETICS NR3C2, REN, NR3C1 FFAR4 852/4885MAPT 4222/4885KDM4E 2254/4885

“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.