SCHEMBL4482736

SCHEMBL4482736

Cc1c(C)c2c(c(C)c1O)C(C#N)CC1(CCC1)O2

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL4468860 0.79 PTGS1 (0.34) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL4463951 0.75 PTGS1 (0.32) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL4481210 0.75 PTGS1 (0.32) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL4477173 0.75 PTGS1 (0.32) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL13762914 0.74 PTGS1 (0.31) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL4469172 0.74 PTGS1 (0.31) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL4472745 0.74 PTGS1 (0.37) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL4469201 0.73 ALDH1A1 (0.31) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL13763122 0.72 PTGS1 (0.30) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL4468037 0.72 PTGS1 (0.30) PTGS1PTGS2CYP1A2CYP3A4TSHR

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 10 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 claimed
EP-1836183-A2 SPIRO DERIVATIVES AS LIPOXYGENASE INHIBITORS Galileo Pharmaceuticals, Inc. (US) 2007-09-26 EP claimed
WO-2006065686-A2 SPIRO DERIVATIVES AS LIPOXYGENASE INHIBITORS GALILEO PHARMACEUTICALS, INC. (US) 2006-06-22 WO claimed
US-20060128790-A1 Spiro derivatives as lipoxygenase inhibitors GALILEO PHARMACEUTICALS, INC. 2006-06-15 US claimed
US-7576094-B2 Spiro derivatives as lipoxygenase inhibitors ELI LILLY AND COMPANY (US) 2009-08-18 US disclosed
US-7576094-B2 Spiro derivatives as lipoxygenase inhibitors ELI LILLY AND COMPANY (US) 2009-08-18 US disclosed
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 PTGS1 24/4885PTGS2 34/4885CYP1A2 136/4885

“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.