SCHEMBL4473198

SCHEMBL4473198

CCc1cc2c(c(CC)c1O)C(NC(C)=O)CC1(CCC1)O2

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.42
CTSD P07339 3/20 0.42
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
TRPV1 Q8NER1 11/20 0.35
IDO1 P14902 2/20 0.33

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
SCHEMBL13763028 0.84 BACE1 (0.36) BACE1CTSDTRPV1
SCHEMBL4462446 0.84 BACE1 (0.36) BACE1CTSDTRPV1IDO1
SCHEMBL4462627 0.83 BACE1 (0.36) BACE1CTSDTRPV1IDO1
SCHEMBL4465317 0.81 MEN1 (0.34) BACE1CTSD
SCHEMBL4486240 0.81 MEN1 (0.34) BACE1CTSD
SCHEMBL4468756 0.81 MEN1 (0.34) BACE1CTSD
SCHEMBL4472937 0.78 CNR1 (0.37) BACE1CTSDHDAC3HDAC4HDAC1
SCHEMBL4464314 0.73 BACE1 (0.35) BACE1CTSDTRPV1IDO1
SCHEMBL4702551 0.73 CTSD (0.31) BACE1CTSD
SCHEMBL4462457 0.73 CTSD (0.33) BACE1CTSDIDO1

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
US-7576094-B2 Spiro derivatives as lipoxygenase inhibitors ELI LILLY AND COMPANY (US) 2009-08-18 US disclosed
EP-1836183-A2 SPIRO DERIVATIVES AS LIPOXYGENASE INHIBITORS Galileo Pharmaceuticals, Inc. (US) 2007-09-26 EP disclosed
WO-2006065686-A2 SPIRO DERIVATIVES AS LIPOXYGENASE INHIBITORS GALILEO PHARMACEUTICALS, INC. (US) 2006-06-22 WO disclosed
US-20060128790-A1 Spiro derivatives as lipoxygenase inhibitors GALILEO PHARMACEUTICALS, INC. 2006-06-15 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-20060128790-A1 Spiro derivatives as lipoxygenase inhibitors ALOX15B, ALOX5, ALOX15 BACE1 4231/4885CTSD 2488/4885HDAC3 2789/4885

“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.