SCHEMBL12768

SCHEMBL12768

CC[C@H]1CCCN(S(C)(=O)=O)C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
TSHR P16473 3/20 0.45
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 1/20 0.43
ATM Q13315 1/20 0.41
CYP4F2 P78329 2/20 0.40
CYP4A11 Q02928 2/20 0.40
CYP2C19 P33261 2/20 0.38
GLA P06280 1/20 0.38
CYP3A4 P08684 1/20 0.38
FABP6 P51161 1/20 0.37
KAT8 Q9H7Z6 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL13198913 1.00 GAA (0.46) GAATSHRALDH1A1MAPK1ATM
SCHEMBL13186413 1.00 GAA (0.46) GAATSHRALDH1A1MAPK1ATM
SCHEMBL24456475 0.88 TP53 (0.43) GAATSHRALDH1A1MAPK1ATM
SCHEMBL10289418 0.88 TP53 (0.43) GAATSHRALDH1A1MAPK1ATM
SCHEMBL15014638 0.88 TP53 (0.43) GAATSHRALDH1A1MAPK1ATM
SCHEMBL16994751 0.86 TSHR (0.41) TSHRALDH1A1MAPK1CYP2C19CYP3A4
SCHEMBL4512108 0.85 GAA (0.43) GAATSHRALDH1A1MAPK1ATM
SCHEMBL22457616 0.85 CA1 (0.41) GAATSHRALDH1A1ATMCYP2C19
SCHEMBL13252481 0.85 ALDH1A1 (0.45) GAATSHRALDH1A1MAPK1ATM
SCHEMBL15870695 0.83 CYP2C19 (0.40) GAATSHRALDH1A1MAPK1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230065740-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2023-03-02 US disclosed
US-20220056037-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2022-02-24 US disclosed
WO-2012125893-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-20 WO disclosed
WO-2011058149-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO S.A. (CH) 2011-05-19 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 (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-20220056037-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK GAA 3009/4885TSHR 3124/4885ALDH1A1 4227/4885
US-20230065740-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK GAA 3009/4885TSHR 3124/4885ALDH1A1 4227/4885

“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.