SCHEMBL12388367

SCHEMBL12388367

C=C(c1cc(C)ccc1OS(=O)(=O)C(F)(F)F)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
HSD11B1 P28845 1/20 0.33
ESR2 Q92731 1/20 0.33
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
DRD4 P21917 1/20 0.32
DRD5 P21918 1/20 0.32
DRD3 P35462 1/20 0.32
GPR3 P46089 1/20 0.32
USP2 O75604 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
CSNK2A1 P68400 1/20 0.32
ABCB1 P08183 1/20 0.32
LMNA P02545 1/20 0.32
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
EPAS1 Q99814 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
SCHEMBL7922665 0.82 CSNK2A1 (0.46) CA1CA2CA9HSD11B1USP2
SCHEMBL3493018 0.81 HSD11B1 (0.46) CA1CA2CA9HSD11B1KMT2A
SCHEMBL2318718 0.81 NOTUM (0.41) CA1CA2CA9GAALMNA
SCHEMBL5937228 0.79 CYP46A1 (0.43) CA1CA2CA9LMNATSHR
SCHEMBL2772235 0.77 TP53 (0.46) GAAABCB1LMNA
SCHEMBL31195498 0.76 CA1 (0.44) CA1CA2CA9DRD2DRD1
SCHEMBL2989290 0.76 CA1 (0.44) CA1CA2CA9DRD2DRD1
SCHEMBL16456986 0.75 KDM4E (0.32) HSD11B1USP2EPAS1CXCR2
SCHEMBL7930838 0.74 ALDH1A1 (0.43) CA1CA2CA9HSD11B1USP2
SCHEMBL1411728 0.73 CA1 (0.46) CA1CA2CA9DRD2DRD1

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-8748462-B2 Spirocyclic GPR40 modulators AMGEN INC. (US) 2014-06-10 US disclosed
US-20110190330-A1 SPIROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2011-08-04 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-20110190330-A1 SPIROCYCLIC GPR40 MODULATORS GPR119, GPR55, GPR65 CA1 4260/4885CA2 1376/4885CA9 3240/4885

“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.