SCHEMBL20487497

SCHEMBL20487497

CC1COC2(CCN(C(=O)OC(C)(C)C)CC2)c2sccc21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ GPR119 Q8TDV5 8/20 0.37
▸ RECQL P46063 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ PTPN2 P17706 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ PTPN6 P29350 1/20 0.36
▸ AVPR1A P37288 1/20 0.36
▸ SCD5 Q86SK9 1/20 0.36
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ ATM Q13315 1/20 0.35

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
SCHEMBL21710557 1.00 USP2 (0.39) USP2SMN1; SMN2GPR119RECQLKDM4E
SCHEMBL21681621 0.84 HHAT (0.36) —
SCHEMBL21681614 0.84 HHAT (0.36) —
SCHEMBL28602735 0.82 KDM4E (0.38) USP2SMN1; SMN2GPR119KDM4EMAPT
SCHEMBL20487416 0.82 KDM4E (0.38) USP2SMN1; SMN2GPR119KDM4EMAPT
SCHEMBL1807425 0.79 OPRL1 (0.47) USP2SMN1; SMN2GPR119AVPR1A
SCHEMBL23002541 0.78 USP2 (0.44) USP2SMN1; SMN2GPR119RECQLKDM4E
SCHEMBL26066300 0.77 GPR119 (0.36) USP2SMN1; SMN2GPR119RECQLPTPN2
SCHEMBL21710554 0.77 USP2 (0.40) USP2SMN1; SMN2GPR119RECQLPTPN2
SCHEMBL18579748 0.77 USP2 (0.40) USP2SMN1; SMN2GPR119RECQLPTPN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11008336-B2 Compounds useful for inhibiting RORγt ELI LILLY AND COMPANY (US) 2021-05-18 — — US disclosed
US-11008336-B2 Compounds useful for inhibiting RORγt ELI LILLY AND COMPANY (US) 2021-05-18 — — US disclosed
EP-3589638-B1 COMPOUNDS USEFUL FOR INHIBITING ROR-GAMMA-T LILLY CO ELI (US) 2021-04-07 — — EP disclosed
EP-3589638-B1 COMPOUNDS USEFUL FOR INHIBITING ROR-GAMMA-T LILLY CO ELI (US) 2021-04-07 — — EP disclosed
US-20200048279-A1 COMPOUNDS USEFUL FOR INHIBITING ROR-GAMMA-T ELI LILLY AND COMPANY 2020-02-13 — — US disclosed
US-20200048279-A1 COMPOUNDS USEFUL FOR INHIBITING ROR-GAMMA-T ELI LILLY AND COMPANY 2020-02-13 — — US disclosed
WO-2018160550-A1 COMPOUNDS USEFUL FOR INHIBITING ROR-GAMMA-T ELI LILLY AND COMPANY (US) 2018-09-07 — — 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-11008336-B2 Compounds useful for inhibiting RORγt RORB, RORC, RORA USP2 3449/4885SMN1; SMN2 4789/4885GPR119 139/4885
US-20200048279-A1 COMPOUNDS USEFUL FOR INHIBITING ROR-GAMMA-T RORC, RORB, RORA USP2 3407/4885SMN1; SMN2 4622/4885GPR119 473/4885

“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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