SCHEMBL23612425

SCHEMBL23612425

CC(C)c1ccc2[nH]cc(C(=O)CS(C)(=O)=O)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
RAB9A P51151 2/20 0.47
HTR1D P28221 3/20 0.46
MAPT P10636 7/20 0.44
HTR1B P28222 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MITF O75030 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PRKAB2 O43741 1/20 0.43
PRKAG1 P54619 1/20 0.43
PRKAA2 P54646 1/20 0.43
PRKAA1 Q13131 1/20 0.43
PRKAG3 Q9UGI9 1/20 0.43
PRKAG2 Q9UGJ0 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 2/20 0.42
POLB P06746 5/20 0.41

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
SCHEMBL23612416 0.90 MAPT (0.44) LMNARAB9AHTR1DMAPTPRKAB2
SCHEMBL20436338 0.82 RAB9A (0.69) LMNARAB9AHTR1DMAPTMEN1
SCHEMBL20424866 0.78 ALDH1A1 (0.49) LMNARAB9AMAPTMEN1KMT2A
SCHEMBL22643831 0.75 NR4A2 (0.67) LMNARAB9AHTR1DMAPTHTR1B
SCHEMBL22643836 0.75 CFTR (0.48) HTR1DHTR1BPRKAB2PRKAG1PRKAA2
SCHEMBL23589327 0.75 LMNA (0.46) LMNARAB9AMAPTMEN1KMT2A
SCHEMBL22643837 0.74 MCL1 (0.50) HTR1DPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL20436347 0.74 NR4A2 (0.57) LMNARAB9AMAPTMEN1KMT2A
SCHEMBL23612424 0.73 HTR1D (0.66) HTR1DMAPTHTR1BTP53CYP2C19
SCHEMBL20921203 0.70 TSHR (0.64) LMNAHTR1DMAPTHTR1BKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11052092-B2 N-{[2-(piperidin-1-yl)phenyl](phenyl)methyl}-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)acetamide derivatives and related compounds as ROR-gamma modulators for treating autoimmune diseases GENFIT (FR) 2021-07-06 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 (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-11052092-B2 N-{[2-(piperidin-1-yl)phenyl](phenyl)methyl}-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)acetamide derivatives and related compounds as ROR-gamma modulators for treating autoimmune diseases RORA, RORC, RORB LMNA 2722/4885RAB9A 1725/4885HTR1D 2935/4885

“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.