SCHEMBL23219326

SCHEMBL23219326

CC(C)(C)OC(=O)NC[C@H]1CC[C@H](S(C)(=O)=O)CC1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 9/20 0.51
KMT2A Q03164 1/20 0.47
DRD2 P14416 2/20 0.46
ACACA Q13085 5/20 0.44
EPHX1 P07099 1/20 0.40
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39

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
SCHEMBL21605563 1.00 ACACB (0.51) ACACBKMT2ADRD2ACACAEPHX1
SCHEMBL190838 0.87 KMT2A (0.56) ACACBKMT2ADRD2ACACAEPHX1
SCHEMBL4377073 0.87 KMT2A (0.56) ACACBKMT2ADRD2ACACAEPHX1
SCHEMBL3816616 0.87 KMT2A (0.56) ACACBKMT2ADRD2ACACAEPHX1
SCHEMBL3942686 0.87 KMT2A (0.56) ACACBKMT2ADRD2ACACAEPHX1
SCHEMBL24612511 0.87 ACACB (0.50) ACACBKMT2ADRD2ACACAEPHX1
Formaldehyde SCHEMBL28082239 0.84 KMT2A (0.54) ACACBKMT2ADRD2ACACAEPHX1
Bicarbonate SCHEMBL1580718 0.84 KMT2A (0.57) ACACBKMT2ADRD2ACACAEPHX1
SCHEMBL7817527 0.82 ACACB (0.49) ACACBKMT2ADRD2ACACAEPHX1
SCHEMBL20855666 0.82 ACACB (0.49) ACACBKMT2ADRD2ACACAEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11345666-B2 Phenyl and pyridinyl substituted imidazoles as modulators of RORγT JANSSEN PHARMACEUTICA NV (BE) 2022-05-31 US disclosed
US-10975037-B2 Phenyl substituted pyrazoles as modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2021-04-13 US disclosed
US-10975057-B2 6-aminopyridin-3-yl pyrazoles as modulators of RORgT JANSSEN PHARMACEUTICA NV (BE) 2021-04-13 US disclosed
CN-112566901-A Phenyl-substituted pyrazoles as modulators of ROR γ t 詹森药业有限公司 2021-03-26 CN disclosed
CN-112334450-A Phenyl and pyridyl substituted imidazoles as modulators of ROR γ t 詹森药业有限公司 2021-02-05 CN disclosed
CN-112292183-A 6-aminopyridin-3-yl-pyrazoles as modulators of ROR γ t 詹森药业有限公司 2021-01-29 CN 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-10975037-B2 Phenyl substituted pyrazoles as modulators of RORγt RORC, RORB, RORA ACACB 4082/4885KMT2A 1864/4885DRD2 1538/4885
US-11345666-B2 Phenyl and pyridinyl substituted imidazoles as modulators of RORγT RORC, RORB, RORA ACACB 3485/4885KMT2A 1380/4885DRD2 2087/4885
US-10975057-B2 6-aminopyridin-3-yl pyrazoles as modulators of RORgT RORC, RORA, RORB ACACB 3098/4885KMT2A 878/4885DRD2 2076/4885

“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.