SCHEMBL18579656

SCHEMBL18579656

CC(C)(C)OC(=O)N1CCC2(CC1)OCCc1cc(C(=O)O)sc12

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RORC P51449 8/20 0.40
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GPR119 Q8TDV5 3/20 0.38
AVPR1A P37288 1/20 0.37
SCD5 Q86SK9 1/20 0.37
ESR2 Q92731 1/20 0.36
ADORA1 P30542 1/20 0.36

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
SCHEMBL21710432 0.93 RORC (0.43) RORCUSP2SMN1; SMN2
SCHEMBL26066372 0.86 USP2 (0.39) USP2SMN1; SMN2GPR119AVPR1AESR2
SCHEMBL1805309 0.86 OPRL1 (0.48)
SCHEMBL1810886 0.86 OPRL1 (0.48) RORCUSP2SMN1; SMN2ESR2
SCHEMBL23192562 0.85 USP2 (0.39) USP2SMN1; SMN2GPR119AVPR1AESR2
SCHEMBL18590704 0.82 RORC (0.38) RORCUSP2SMN1; SMN2GPR119SCD5
SCHEMBL21710542 0.82 RORC (0.38) RORCUSP2SMN1; SMN2GPR119SCD5
SCHEMBL20487525 0.81 RORC (0.45) RORC
SCHEMBL1807425 0.80 OPRL1 (0.47) RORCUSP2SMN1; SMN2GPR119AVPR1A
SCHEMBL21710521 0.78 RORC (0.70) RORCGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110337440-B Compounds useful for inhibition of ROR-gamma-t 伊莱利利公司 2021-08-03 CN disclosed
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
CN-108026112-B Compounds for inhibition of ROR-gamma-T 伊莱利利公司 2020-04-10 CN 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
EP-3347360-B1 COMPOUNDS USEFUL FOR INHIBITING ROR-GAMMA-T LILLY CO ELI (US) 2019-10-23 EP disclosed
EP-3347360-B1 COMPOUNDS USEFUL FOR INHIBITING ROR-GAMMA-T LILLY CO ELI (US) 2019-10-23 EP disclosed
WO-2018160550-A1 COMPOUNDS USEFUL FOR INHIBITING ROR-GAMMA-T ELI LILLY AND COMPANY (US) 2018-09-07 WO disclosed
US-9598431-B1 Compounds useful for inhibiting ROR-gamma-t ELI LILLY AND COMPANY (US) 2017-03-21 US disclosed
US-9598431-B1 Compounds useful for inhibiting ROR-gamma-t ELI LILLY AND COMPANY (US) 2017-03-21 US disclosed
US-9598431-B1 Compounds useful for inhibiting ROR-gamma-t ELI LILLY AND COMPANY (US) 2017-03-21 US disclosed
WO-2017044410-A1 COMPOUNDS USEFUL FOR INHIBITING ROR-GAMMA-T ELI LILLY AND COMPANY (US) 2017-03-16 WO disclosed
US-20170066781-A1 COMPOUNDS USEFUL FOR INHIBITING ROR-GAMMA-T LILLY CO ELI (US) 2017-03-09 US disclosed
US-20170066781-A1 COMPOUNDS USEFUL FOR INHIBITING ROR-GAMMA-T LILLY CO ELI (US) 2017-03-09 US disclosed
US-20170066781-A1 COMPOUNDS USEFUL FOR INHIBITING ROR-GAMMA-T LILLY CO ELI (US) 2017-03-09 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 (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-20170066781-A1 COMPOUNDS USEFUL FOR INHIBITING ROR-GAMMA-T RORC, RORB, RORA RORC 1/4885USP2 2526/4885SMN1; SMN2 4475/4885
US-11008336-B2 Compounds useful for inhibiting RORγt RORB, RORC, RORA RORC 2/4885USP2 3449/4885SMN1; SMN2 4789/4885
US-20200048279-A1 COMPOUNDS USEFUL FOR INHIBITING ROR-GAMMA-T RORC, RORB, RORA RORC 1/4885USP2 3407/4885SMN1; SMN2 4622/4885

“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.