SCHEMBL3618903

SCHEMBL3618903

Cc1cc2c(cc1O)C(C)(C)CC1(CC(C)(C)c3cc(OCC(=O)O)c(C)cc3O1)O2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.37
PTGDR Q13258 1/20 0.37
KDM4E B2RXH2 5/20 0.35
ELANE P08246 1/20 0.35
APEX1 P27695 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
FTO Q9C0B1 2/20 0.33
PPARG P37231 2/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
RXRA P19793 1/20 0.32

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
SCHEMBL14038318 1.00 PTGDR2 (0.37) PTGDR2PTGDRKDM4EELANEAPEX1
SCHEMBL3650395 0.94 PTGDR2 (0.40) PTGDR2PTGDRKDM4EAPEX1ALDH1A1
SCHEMBL3659340 0.90 KMT2A (0.36) GLAGAAFTOKMT2A
SCHEMBL14012110 0.90 PTGDR2 (0.37) PTGDR2PTGDRKDM4EAPEX1ALDH1A1
SCHEMBL3622315 0.90 POLB (0.39) PTGDR2PTGDRKDM4EELANEAPEX1
SCHEMBL3619107 0.88 TSHR (0.43) PTGDR2KDM4EALDH1A1HPGDGLA
SCHEMBL3617799 0.88 ALDH1A1 (0.43) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL3624354 0.84 FTO (0.34) FTO
SCHEMBL14037706 0.84 ALDH1A1 (0.42) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL5053860 0.83 FTO (0.34) FTO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155178-A1 SPIRO COMPOUNDS FOR TREATMENT OF INFLAMMATORY DISORDERS Salutria Pharmaceuticals, LLC (US) 2010-02-24 EP disclosed
WO-2008140781-A1 SPIRO COMPOUNDS FOR TREATMENT OF INFLAMMATORY DISORDERS ATHEROGENICS, INC. (US) 2008-11-20 WO disclosed
WO-2008140781-A1 SPIRO COMPOUNDS FOR TREATMENT OF INFLAMMATORY DISORDERS ATHEROGENICS, INC. (US) 2008-11-20 WO disclosed
US-20080280974-A1 Spiro compounds for treatment of inflammatory disorders CRABTREE ACQUISITION CO, LLC 2008-11-13 US disclosed
US-20080280974-A1 Spiro compounds for treatment of inflammatory disorders CRABTREE ACQUISITION CO, LLC 2008-11-13 US disclosed
US-20080280974-A1 Spiro compounds for treatment of inflammatory disorders CRABTREE ACQUISITION CO, LLC 2008-11-13 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-20080280974-A1 Spiro compounds for treatment of inflammatory disorders NR3C2, PTGER2, PTGER1 PTGDR2 33/4885PTGDR 38/4885KDM4E 4204/4885

“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.