SCHEMBL1139482

SCHEMBL1139482

CCOC(=O)[C@@H]1C[C@H](OS(C)(=O)=O)C[C@H]1COCc1ccc(OC)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA9 Q16790 4/20 0.43
CA12 O43570 3/20 0.43
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
CCR6 P51684 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37
MMP1 P03956 2/20 0.36
MMP2 P08253 2/20 0.36
MMP3 P08254 2/20 0.36

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
SCHEMBL6409649 0.88 CA1 (0.54) CA1CA2CA9CA12ALDH1A1
SCHEMBL22340184 0.88 CA1 (0.54) CA1CA2CA9CA12ALDH1A1
SCHEMBL1139581 0.86 CA1 (0.47) CA1CA2CA9CA12ALDH1A1
SCHEMBL1140644 0.81 CA1 (0.41) CA1CA2CA9CA12ALDH1A1
SCHEMBL1140571 0.79 CA1 (0.38) CA1CA2CA9CA12KMT2A
SCHEMBL1140134 0.79 FFAR4 (0.41) KMT2ANPSR1FFAR4
SCHEMBL27868155 0.79 FFAR4 (0.41) KMT2ANPSR1FFAR4
SCHEMBL1140172 0.79 FFAR4 (0.41) KMT2ALMNAMAPTFFAR4POLB
SCHEMBL1934310 0.78 CA1 (0.48) CA1CA2CA9CA12ALDH1A1
SCHEMBL6406569 0.77 HTT (0.49) CA1CA2ALDH1A1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440521-B1 NOVEL CYCLOPENTANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-04-30 EP disclosed
US-7893099-B2 Cyclopentane derivatives HOFFMAN-LA ROCHE INC. (US) 2011-02-22 US disclosed
US-20100317647-A1 NOVEL CYCLOPENTANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-12-16 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-20100317647-A1 NOVEL CYCLOPENTANE DERIVATIVES TBXA2R, ADORA1, CNR1 CA1 2621/4885CA2 1983/4885CA9 2610/4885

“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.