SCHEMBL2885300

SCHEMBL2885300

CC1(C)OCC(CCOS(=O)(=O)c2ccc([N+](=O)[O-])cc2)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.43
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
HTR1A P08908 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
ALDH1A1 P00352 3/20 0.37
HSP90AA1 P07900 1/20 0.37
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA3 P07451 3/20 0.35
CA4 P22748 3/20 0.35
CA6 P23280 3/20 0.35
CA5A P35218 3/20 0.35
CA7 P43166 3/20 0.35
CA9 Q16790 3/20 0.35
CA13 Q8N1Q1 3/20 0.35
CA14 Q9ULX7 3/20 0.35
CA5B Q9Y2D0 3/20 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
SCHEMBL8862486 0.88 CA2 (0.55) CA2PRMT5WDR77HTR1AADRA1D
SCHEMBL3320309 0.88 CA2 (0.55) CA2PRMT5WDR77HTR1AADRA1D
SCHEMBL879857 0.86 CA2 (0.46) CA2ALDH1A1CA12CA1CA9
SCHEMBL2724163 0.86 CA2 (0.46) CA2ALDH1A1CA12CA1CA9
SCHEMBL3490631 0.86 CA2 (0.46) CA2ALDH1A1CA12CA1CA9
SCHEMBL2859063 0.81 CA2 (0.41) CA2ALDH1A1CA12CA1CA9
SCHEMBL23827433 0.79 CA2 (0.44) CA2ALDH1A1CA12CA1CA9
SCHEMBL9281309 0.79 CA2 (0.44) CA2ALDH1A1CA12CA1CA9
SCHEMBL6714976 0.79 CA2 (0.41) CA2PRMT5WDR77ALDH1A1SMN1; SMN2
SCHEMBL7165666 0.78 CA2 (0.43) CA2ALDH1A1CA12CA1CA9

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-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
EP-1984332-A2 METHODS FOR TREATING HEPATITIS C PTC Therapeutics, Inc. (US) 2008-10-29 EP disclosed
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 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 (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-20070299068-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS CA2 1877/4885PRMT5 1689/4885WDR77 3716/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS CA2 1877/4885PRMT5 1689/4885WDR77 3716/4885

“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.