SCHEMBL16133046

SCHEMBL16133046

CC(NC(C)(C)C)c1ccc2c(c1)OCCO2

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.51
▸ PTGS2 P35354 1/20 0.51
▸ HTT P42858 2/20 0.51
▸ KDM1A O60341 3/20 0.50
▸ MAOA P21397 2/20 0.50
▸ MAOB P27338 2/20 0.50
▸ AOC3 Q16853 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL764726 0.81 PTGS1 (0.56) PTGS1PTGS2HTTKDM1AMAOA
SCHEMBL19658755 0.77 HTT (0.62) PTGS1PTGS2HTTALDH1A1HPGD
SCHEMBL71414 0.76 PTGS1 (0.62) PTGS1PTGS2HTTKDM1AMAOA
SCHEMBL17753763 0.75 PTGS1 (0.54) PTGS1PTGS2HTTKDM1AMAOA
SCHEMBL19658728 0.74 HTT (0.67) PTGS1PTGS2HTTALDH1A1HPGD
SCHEMBL12086989 0.74 AOC3 (0.55) PTGS1PTGS2HTTKDM1AMAOA
SCHEMBL25066870 0.73 PTGS1 (0.59) PTGS1PTGS2HTTKDM1AMAOA
SCHEMBL17541625 0.73 PTGS1 (0.59) PTGS1PTGS2HTTKDM1AMAOA
SCHEMBL20559648 0.73 PTGS1 (0.59) PTGS1PTGS2HTTKDM1AMAOA
SCHEMBL1744600 0.73 PTGS1 (0.59) PTGS1PTGS2HTTKDM1AMAOA

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-9260454-B2 Isothiazolopyridine-2-carboxamides and their use as pharmaceuticals SANOFI (FR) 2016-02-16 — — US disclosed
US-20140296169-A1 ISOTHIAZOLOPYRIDINE-2-CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2014-10-02 — — 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-20140296169-A1 ISOTHIAZOLOPYRIDINE-2-CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS TGM2, TGM1, TGM6 PTGS1 72/4885PTGS2 32/4885HTT 1235/4885

“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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