SCHEMBL3587945

SCHEMBL3587945

Cc1cnc(C)n1CC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 3/20 0.50
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38
CCNB2 O95067 1/20 0.35
CCNE2 O96020 1/20 0.35
CDK1 P06493 1/20 0.35
CDK4 P11802 1/20 0.35
CCNB1 P14635 1/20 0.35
CCND1 P24385 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
KMT2A Q03164 1/20 0.35
CACNA1B Q00975 1/20 0.34
F2 P00734 1/20 0.34
PLA2G7 Q13093 1/20 0.33
GLA P06280 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL7336849 0.81 KDM4E (0.48) ALDH1A1KDM4EJAK2JAK1JAK3
SCHEMBL15216909 0.72 ALDH1A1 (0.47) ALDH1A1KDM4EKMT2ATSHRMAPK1
SCHEMBL6245063 0.71 ALDH1A1 (0.47) ALDH1A1KDM4EKMT2AF2EGFR
SCHEMBL19499634 0.71 GABRG2 (0.39) KMT2ATSHR
SCHEMBL20967569 0.71 ALDH1A1 (0.49) ALDH1A1KDM4EJAK2JAK1JAK3
SCHEMBL3581217 0.71 KDM4E (0.41) ALDH1A1KDM4EJAK2JAK1JAK3
SCHEMBL15335292 0.71 ALPL (0.47) ALDH1A1KDM4EKMT2AFPR2HDAC6
SCHEMBL3577086 0.71 ALDH1A1 (0.41) ALDH1A1KDM4EKMT2AF2HDAC6
SCHEMBL20874885 0.70 ALDH1A1 (0.44) ALDH1A1KDM4EJAK2JAK1JAK3
SCHEMBL3589494 0.70 ALDH1A1 (0.43) ALDH1A1KDM4EJAK2JAK1JAK3

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-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 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-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 ALDH1A1 971/4885KDM4E 3447/4885JAK2 181/4885

“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.