SCHEMBL3659340

SCHEMBL3659340

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.36
LMNA P02545 5/20 0.36
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 6/20 0.35
TSHR P16473 2/20 0.35
USP2 O75604 1/20 0.35
MAPK1 P28482 1/20 0.33
FTO Q9C0B1 2/20 0.33
GAA P10253 1/20 0.32
GLA P06280 1/20 0.32
RAB9A P51151 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 0.90 PTGDR2 (0.37) KMT2AFTOGAAGLA
SCHEMBL3618903 0.90 PTGDR2 (0.37) KMT2AFTOGAAGLA
SCHEMBL3617799 0.87 ALDH1A1 (0.43) KMT2ASMN1; SMN2TSHRGAAGLA
SCHEMBL3650395 0.83 PTGDR2 (0.40) KMT2ATSHRGAAGLA
SCHEMBL3624354 0.83 FTO (0.34) FTO
SCHEMBL14037706 0.83 ALDH1A1 (0.42) TSHRGAA
SCHEMBL3619107 0.83 TSHR (0.43) KMT2AHTTTSHRUSP2FTO
SCHEMBL5053860 0.82 FTO (0.34) FTO
SCHEMBL5058660 0.81 FTO (0.33) FTO
SCHEMBL5058693 0.81 FTO (0.33) 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 KMT2A 3821/4885LMNA 1509/4885HTT 4330/4885

“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.