SCHEMBL16133045

SCHEMBL16133045

CC(C)(C)N1CCN(c2ccccc2C(=O)O)CC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MYC P01106 4/20 0.49
NR4A1 P22736 1/20 0.47
MLYCD O95822 1/20 0.47
RBP4 P02753 3/20 0.47
ALDH1A1 P00352 3/20 0.46
ENPP2 Q13822 3/20 0.46
ALOX15 P16050 1/20 0.45
NPC1 O15118 1/20 0.45
HRH3 Q9Y5N1 1/20 0.43
PTPN1 P18031 1/20 0.43

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
SCHEMBL8048603 0.86 ALDH1A1 (0.61) MYCNR4A1MLYCDALDH1A1ENPP2
SCHEMBL8690764 0.84 ENPP2 (0.45) MYCNR4A1MLYCDRBP4ALDH1A1
SCHEMBL594621 0.81 L3MBTL1 (0.57) MYCNR4A1ALDH1A1ENPP2ALOX15
SCHEMBL3808106 0.80 ALDH1A1 (0.70) MYCNR4A1ALDH1A1ENPP2ALOX15
SCHEMBL29467270 0.79 NPC1 (0.68) MYCNR4A1ALDH1A1ENPP2ALOX15
SCHEMBL2492855 0.79 NPC1 (0.68) MYCNR4A1ALDH1A1ENPP2ALOX15
SCHEMBL110679 0.79 GPR119 (0.54) MYCRBP4ALDH1A1ENPP2
SCHEMBL9114338 0.79 ALDH1A1 (0.58) MYCNR4A1RBP4ALDH1A1ENPP2
SCHEMBL25387883 0.79 MAPT (0.41) MYCNR4A1MLYCDRBP4ALDH1A1
SCHEMBL11093160 0.78 GRIN2D (0.43) RBP4ALDH1A1HRH3

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 MYC 4884/4885NR4A1 3939/4885MLYCD 2808/4885

“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.