SCHEMBL14378243

SCHEMBL14378243

CCS(=O)(=O)Cc1ccccc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
KDM4E B2RXH2 2/20 0.50
CA5A P35218 1/20 0.50
POLB P06746 1/20 0.50
IDO1 P14902 2/20 0.48
TAAR1 Q96RJ0 1/20 0.48
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 3/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CA4 P22748 1/20 0.44

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
SCHEMBL2719015 0.92 HTT (0.53) HTTCA12CA1CA2CA9
SCHEMBL14426981 0.87 HTT (0.46) HTTCA12CA1CA2CA9
SCHEMBL514864 0.82 HTT (0.51) HTTCA12CA1CA2CA9
SCHEMBL2342299 0.81 KMT2A (0.55) KDM4EPOLBCHRM2CHRM1ALDH1A1
SCHEMBL5984089 0.81 KDM4E (0.54) HTTCA12CA1CA2CA9
SCHEMBL3630675 0.81 HTT (0.50) HTTCA12CA1CA2CA9
SCHEMBL1694632 0.81 CA2 (0.58) HTTCA12CA1CA2CA9
SCHEMBL30297734 0.81 CA2 (0.58) HTTCA12CA1CA2CA9
SCHEMBL514863 0.81 HTT (0.50) HTTCA12CA1CA2CA9
SCHEMBL17939 0.79 IDO1 (0.59) HTTCA12CA1CA2CA9

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-20070232654-A1 Novel Compounds and Compositions as Cathepsin Inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-10-04 US disclosed
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-01 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 (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-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE HTT 1566/4885CA12 626/4885CA1 309/4885
US-20070232654-A1 Novel Compounds and Compositions as Cathepsin Inhibitors CTSS, CTSB, CTSE HTT 1566/4885CA12 626/4885CA1 309/4885

“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.