SCHEMBL17328206

SCHEMBL17328206

O=C(C[C@H]1CC[C@@H](C(=O)O)CC1)N1CCc2c(C(F)(F)F)nn(Cc3ccc(Cl)cc3)c2C1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 8/20 0.51
▸ MAPT P10636 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ THRB P10828 1/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ KCNK3 O14649 3/20 0.39
▸ DPP4 P27487 1/20 0.38
▸ DPP8 Q6V1X1 1/20 0.38
▸ DPP9 Q86TI2 1/20 0.38
▸ DPP7 Q9UHL4 1/20 0.38
▸ PTGER4 P35408 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ GRIA2 P42262 1/20 0.37
▸ LMNA P02545 1/20 0.37

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
SCHEMBL17317568 1.00 ENPP2 (0.51) ENPP2MAPTTP53THRBPTGDR2
SCHEMBL17317934 1.00 ENPP2 (0.51) ENPP2MAPTTP53THRBPTGDR2
SCHEMBL17317601 0.94 ENPP2 (0.50) ENPP2PTGDR2KCNK3DPP4DPP8
SCHEMBL17317759 0.94 ENPP2 (0.50) ENPP2PTGDR2KCNK3DPP4DPP8
SCHEMBL17317466 0.94 ENPP2 (0.46) ENPP2PTGDR2KCNK3PTGER4CYP2C9
SCHEMBL17328158 0.94 ENPP2 (0.50) ENPP2PTGDR2KCNK3DPP4DPP8
SCHEMBL17317567 0.94 ENPP2 (0.51) ENPP2KCNK3
SCHEMBL17328090 0.94 ENPP2 (0.51) ENPP2KCNK3
SCHEMBL17328096 0.94 ENPP2 (0.51) ENPP2KCNK3
SCHEMBL17317535 0.93 ENPP2 (0.46) ENPP2MAPTPTGDR2KCNK3DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10144732-B2 ATX modulating agents BIOGEN MA INC. (US) 2018-12-04 — — US claimed
US-10144732-B2 ATX modulating agents BIOGEN MA INC. (US) 2018-12-04 — — US disclosed
US-20170197960-A1 ATX MODULATING AGENTS BIOGEN MA INC. 2017-07-13 — — US disclosed
US-20170197960-A1 ATX MODULATING AGENTS BIOGEN MA INC. 2017-07-13 — — US disclosed
WO-2015188051-A1 ATX MODULATING AGENTS BIOGEN MA INC. (US) 2015-12-10 — — WO 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 (2 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-20170197960-A1 ATX MODULATING AGENTS ENPP2, ATXN10, ATXN2 ENPP2 1/4885MAPT 1228/4885TP53 4849/4885
US-10144732-B2 ATX modulating agents ENPP2, ATXN10, ATXN2 ENPP2 1/4885MAPT 1227/4885TP53 4849/4885

“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.

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