SCHEMBL21710554

SCHEMBL21710554

C[C@@H]1Cc2ccsc2C2(CCN(C(=O)OC(C)(C)C)CC2)O1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
AVPR1A P37288 2/20 0.38
GPR119 Q8TDV5 4/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RECQL P46063 1/20 0.37
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN6 P29350 1/20 0.37
SCD5 Q86SK9 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
SCHEMBL18590703 1.00 USP2 (0.40) USP2SMN1; SMN2AVPR1AGPR119MEN1
SCHEMBL18579748 1.00 USP2 (0.40) USP2SMN1; SMN2AVPR1AGPR119MEN1
SCHEMBL21681635 0.85 OPRL1 (0.38)
SCHEMBL18579749 0.85 OPRL1 (0.38)
SCHEMBL1807425 0.82 OPRL1 (0.47) USP2SMN1; SMN2AVPR1AGPR119
SCHEMBL18647239 0.81 USP2 (0.36) USP2SMN1; SMN2AVPR1AGPR119SCD5
SCHEMBL21710567 0.81 GPR119 (0.37) USP2SMN1; SMN2AVPR1AGPR119SCD5
SCHEMBL23223306 0.80 USP2 (0.40) USP2SMN1; SMN2AVPR1AGPR119MEN1
SCHEMBL20488362 0.80 USP2 (0.40) USP2SMN1; SMN2AVPR1AGPR119MEN1
SCHEMBL18579398 0.80 RORC (0.38) USP2SMN1; SMN2GPR119SCD5

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 3 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
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

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 4789/4885AVPR1A 3504/4885
US-20200048279-A1 COMPOUNDS USEFUL FOR INHIBITING ROR-GAMMA-T RORC, RORB, RORA USP2 3407/4885SMN1; SMN2 4622/4885AVPR1A 4372/4885

“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.