SCHEMBL18669485

SCHEMBL18669485

CC(C)(C)OC(=O)N1CC2=C(CC(C(=O)O)C2)C1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.43
HPGD P15428 1/20 0.43
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RORC P51449 2/20 0.42
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
POLB P06746 1/20 0.41
RECQL P46063 1/20 0.41
NR1H2 P55055 1/20 0.41
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40
NAMPT P43490 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40

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
SCHEMBL2292608 0.83 USP2 (0.52) HPGDUSP2SMN1; SMN2DDB1CRBN
SCHEMBL17629419 0.80 USP2 (0.46) HPGDUSP2SMN1; SMN2RORCDDB1
SCHEMBL43159 0.78 NR1H2 (0.53) HSD17B10HPGDUSP2SMN1; SMN2RORC
SCHEMBL17611204 0.77 USP2 (0.46) USP2SMN1; SMN2NR1H2PTPN2PTPN1
SCHEMBL14043923 0.77 USP2 (0.46) HPGDUSP2SMN1; SMN2DDB1CRBN
SCHEMBL1394242 0.75 USP2 (0.44) HPGDUSP2SMN1; SMN2DDB1CRBN
SCHEMBL18668387 0.75 USP2 (0.44) HPGDUSP2SMN1; SMN2DDB1CRBN
SCHEMBL18275033 0.75 HPGD (0.53) HSD17B10HPGDUSP2SMN1; SMN2GPR119
SCHEMBL89062 0.75 NR1H2 (0.54) HSD17B10HPGDUSP2SMN1; SMN2RORC
SCHEMBL20220628 0.75 NR1H2 (0.54) HSD17B10HPGDUSP2SMN1; SMN2RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3353176-B1 BICYCLIC COMPOUNDS AS ATX INHIBITORS HOFFMANN LA ROCHE (CH) 2022-01-19 EP disclosed
US-10800786-B2 Bicyclic compounds as ATX inhibitors HOFFMAN-LA ROCHE INC. (US) 2020-10-13 US disclosed
US-20200087307-A1 BICYCLIC COMPOUNDS AS ATX INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2020-03-19 US disclosed
US-20180312515-A1 NEW BICYCLIC COMPOUNDS AS ATX INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2018-11-01 US disclosed
EP-3353176-A1 BICYCLIC COMPOUNDS AS ATX INHIBITORS H. Hoffnabb-La Roche Ag (CH) 2018-08-01 EP disclosed
WO-2017050792-A1 BICYCLIC COMPOUNDS AS ATX INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2017-03-30 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 (3 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-10800786-B2 Bicyclic compounds as ATX inhibitors ATXN2, ATXN2L, ATXN10 HSD17B10 4185/4885HPGD 4450/4885USP2 1731/4885
US-20180312515-A1 NEW BICYCLIC COMPOUNDS AS ATX INHIBITORS ATXN2, ATXN2L, ATXN10 HSD17B10 4235/4885HPGD 4536/4885USP2 1957/4885
US-20200087307-A1 BICYCLIC COMPOUNDS AS ATX INHIBITORS ATXN2, ATXN2L, ATXN10 HSD17B10 4185/4885HPGD 4450/4885USP2 1731/4885

“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.