SCHEMBL22014553

SCHEMBL22014553

CCC1(C(=O)O)CCS(=O)(=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.39
CYP4F2 P78329 2/20 0.32
CYP4A11 Q02928 2/20 0.32
FFAR3 O14843 1/20 0.32
CETP P11597 1/20 0.32
POLB P06746 1/20 0.31
NR1I2 O75469 1/20 0.30
RORC P51449 1/20 0.30

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
SCHEMBL17447467 0.83 CYP2C19 (0.36) CYP2C19CYP4F2CYP4A11FFAR3CETP
SCHEMBL16892254 0.83 CETP (0.32) CETPPOLBNR1I2RORC
SCHEMBL1812100 0.81 CYP2C19 (0.56) CYP2C19CYP4F2CYP4A11FFAR3CETP
SCHEMBL30716833 0.81 CYP2C19 (0.42) CYP2C19FFAR3CETP
SCHEMBL245571 0.81
SCHEMBL16887699 0.81 CETP (0.31) CETPPOLB
SCHEMBL30186714 0.79 CYP2C19 (0.60) CYP2C19CYP4F2CYP4A11FFAR3CETP
SCHEMBL265530 0.79 CYP2C19 (0.60) CYP2C19CYP4F2CYP4A11FFAR3CETP
SCHEMBL9640977 0.79 CYP2C19 (0.60) CYP2C19CYP4F2CYP4A11FFAR3CETP
SCHEMBL16886380 0.79 NR1I2 (0.31) CETPNR1I2RORC

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-20230036854-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS THE UNIVERSITY OF SHEFFIELD (GB) 2023-02-02 US disclosed
CN-114007695-A As AM2Heterocyclic spiro-compounds as receptor inhibitors 谢菲尔德大学 2022-02-01 CN disclosed
WO-2020099885-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS THE UNIVERSITY OF SHEFFIELD (GB) 2020-05-22 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 (1 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-20230036854-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS MC2R, AGTR2, NR3C2 CYP2C19 551/4885CYP4F2 728/4885CYP4A11 665/4885

“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.