SCHEMBL2272017

SCHEMBL2272017

Cc1cc(-c2ccc(C(F)(F)F)cc2)ccc1[C@H](O)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.59
KIF11 P52732 7/20 0.43
RXRA P19793 2/20 0.40
RXRB P28702 2/20 0.40
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
RXRG P48443 1/20 0.38
HDAC4 P56524 1/20 0.36

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
SCHEMBL2272013 1.00 PDE2A (0.59) PDE2AKIF11RXRARXRBAKR1C3
SCHEMBL2272024 1.00 PDE2A (0.59) PDE2AKIF11RXRARXRBAKR1C3
SCHEMBL2268127 0.87 PDE2A (0.54) PDE2AKIF11RXRARXRBAKR1C3
SCHEMBL2268129 0.87 PDE2A (0.54) PDE2AKIF11RXRARXRBAKR1C3
SCHEMBL2268133 0.87 PDE2A (0.54) PDE2AKIF11RXRARXRBAKR1C3
SCHEMBL13365630 0.83 KIF11 (0.48) PDE2AKIF11RXRARXRBPSEN1
SCHEMBL2270284 0.81 PSEN1 (0.48) PDE2AKIF11RXRARXRBAKR1C3
SCHEMBL2270286 0.81 PSEN1 (0.48) PDE2AKIF11RXRARXRBAKR1C3
SCHEMBL2270289 0.81 PSEN1 (0.48) PDE2AKIF11RXRARXRBAKR1C3
SCHEMBL2269517 0.80 KIF11 (0.43) PDE2AKIF11RXRARXRBAKR1C3

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-7989457-B2 Used to treat diabetic and other glucagon related metabolic disorders such as obesity, hyperglycemia, atherosclerosis, ischemic heart disease, stroke, neuropathy, and wound healing; (R,S)-Methanesulfonic acid 2-(3-methyl-4'-trifluoromethyl-biphenyl-4-yl)-propyl ester ELI LILLY AND COMPANY (US) 2011-08-02 US disclosed
US-20080125468-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses ELI LILLY AND COMPANY 2008-05-29 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-20080125468-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses GLP1R, GCGR, GIPR PDE2A 386/4885KIF11 3904/4885RXRA 571/4885

“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.