SCHEMBL22491573

SCHEMBL22491573

CC(C)(C)OC(=O)N1CCC(C(=O)c2ccc(Cl)cc2F)CC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STS P08842 7/20 0.56
CPS1 P31327 1/20 0.52
USP30 Q70CQ3 1/20 0.50
CYP3A4 P08684 2/20 0.49
CYP3A5 P20815 2/20 0.49
PTPN2 P17706 1/20 0.48
PTPN1 P18031 1/20 0.48
PTPN6 P29350 1/20 0.48
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
USP2 O75604 1/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PDK2 Q15119 2/20 0.46

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
SCHEMBL16818362 0.92 STS (0.57) STSUSP30CYP3A4CYP3A5PTPN2
SCHEMBL15566264 0.88 MEN1 (0.54) STSCPS1PTPN2PTPN1PTPN6
SCHEMBL5705838 0.88 STS (0.58) STSPTPN2PTPN1PTPN6FNTA
SCHEMBL31462554 0.86 STS (0.58) STSPTPN2PTPN1PTPN6FNTA
SCHEMBL20971852 0.85 STS (0.56) STSCPS1PTPN2PTPN1PTPN6
SCHEMBL29039960 0.85 CPS1 (0.73) STSCPS1PTPN2PTPN1PTPN6
SCHEMBL3711728 0.85 STS (0.57) STSPTPN2PTPN1PTPN6MEN1
SCHEMBL4245053 0.84 PTPN2 (0.51) STSCPS1PTPN2PTPN1PTPN6
SCHEMBL19409538 0.84 HSD11B1 (0.58) STSPTPN2PTPN1PTPN6MEN1
SCHEMBL3791334 0.83 STS (0.53) STSCYP3A4CYP3A5PTPN2PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11420961-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2022-08-23 US disclosed
EP-3717477-B1 NEW HETEROCYCLIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2022-07-20 EP disclosed
US-20200392125-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2020-12-17 US disclosed
EP-3717477-A1 NEW HETEROCYCLIC COMPOUNDS H. Hoffnabb-La Roche Ag (CH) 2020-10-07 EP 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-11420961-B2 Heterocyclic compounds LPXN, MLX, CCNY STS 679/4885CPS1 1076/4885USP30 3959/4885
US-20200392125-A1 HETEROCYCLIC COMPOUNDS LPXN, MLX, CCNY STS 679/4885CPS1 1076/4885USP30 3959/4885

“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.