SCHEMBL2739945

SCHEMBL2739945

COc1ccc(NCS)c(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
HPGD P15428 2/20 0.54
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
MAPT P10636 7/20 0.49
APLNR P35414 1/20 0.49
GAA P10253 5/20 0.48
TDP1 Q9NUW8 3/20 0.48
KDM4E B2RXH2 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
POLB P06746 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP1A1 P04798 1/20 0.47
CYP1A2 P05177 1/20 0.47

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
SCHEMBL3372005 0.83 ALDH1A1 (0.57) ALDH1A1HPGDCA12CA1CA2
SCHEMBL13165681 0.81 GAA (0.53) ALDH1A1HPGDCA12CA1CA2
SCHEMBL23097564 0.79 FERMT2 (0.55) ALDH1A1HPGDCA12CA1CA2
SCHEMBL2434485 0.79 ALDH1A1 (0.57) ALDH1A1HPGDCA12CA1CA2
SCHEMBL597148 0.79 MAPT (0.61) ALDH1A1HPGDMAPTGAATDP1
SCHEMBL2094819 0.79 ALDH1A1 (0.61) ALDH1A1HPGDCA12CA1CA2
SCHEMBL6787147 0.77 ALDH1A1 (0.55) ALDH1A1HPGDMAPTAPLNRGAA
SCHEMBL10860276 0.77 ALDH1A1 (0.51) ALDH1A1HPGDCA12CA1CA2
SCHEMBL1547457 0.76 ALDH1A1 (0.61) ALDH1A1HPGDCA12CA1CA2
SCHEMBL5842593 0.76 ALDH1A1 (0.62) ALDH1A1HPGDMAPTGAATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088928-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-20070037810-A1 Sirtuin modulating compounds SIRTIS PHARMACEUTICALS, INC. (US) 2007-02-15 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-20070037810-A1 Sirtuin modulating compounds SIRT1, SIRT3, SIRT2 ALDH1A1 1331/4885HPGD 552/4885CA12 4817/4885

“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.