SCHEMBL21710567

SCHEMBL21710567

C[C@H]1Cc2cc(Br)sc2C2(CCN(C(=O)OC(C)(C)C)CC2)O1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.37
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
AVPR1A P37288 1/20 0.35
RORC P51449 5/20 0.35
SCD5 Q86SK9 1/20 0.35
RORB Q92753 1/20 0.35
RORA P35398 1/20 0.35
NAMPT P43490 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
SCHEMBL18647239 0.88 USP2 (0.36) GPR119USP2SMN1; SMN2KDM4EMAPT
SCHEMBL18590704 0.86 RORC (0.38) GPR119USP2SMN1; SMN2HDAC1HDAC8
SCHEMBL18646542 0.86 USP2 (0.35) GPR119USP2SMN1; SMN2KDM4EMAPT
SCHEMBL21710542 0.86 RORC (0.38) GPR119USP2SMN1; SMN2HDAC1HDAC8
SCHEMBL21681645 0.85 RORC (0.36) RORCRORBRORA
SCHEMBL26066372 0.82 USP2 (0.39) GPR119USP2SMN1; SMN2HDAC1HDAC8
SCHEMBL23223330 0.81 GPR119 (0.37) GPR119USP2SMN1; SMN2HDAC1HDAC8
SCHEMBL20486729 0.81 GPR119 (0.37) GPR119USP2SMN1; SMN2HDAC1HDAC8
SCHEMBL21710554 0.81 USP2 (0.40) GPR119USP2SMN1; SMN2AVPR1ASCD5
SCHEMBL18579748 0.81 USP2 (0.40) GPR119USP2SMN1; SMN2AVPR1ASCD5

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 GPR119 139/4885USP2 3449/4885SMN1; SMN2 4789/4885
US-20200048279-A1 COMPOUNDS USEFUL FOR INHIBITING ROR-GAMMA-T RORC, RORB, RORA GPR119 473/4885USP2 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.