SCHEMBL9103277

SCHEMBL9103277

CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(O)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
KMT2A Q03164 4/20 0.46
ITGB3 P05106 9/20 0.45
ITGA2B P08514 9/20 0.45
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MEN1 O00255 2/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL9103275 1.00 TSHR (0.52) TSHRCTSSCTSKKMT2AITGB3
SCHEMBL9102670 0.88 CTSK (0.51) TSHRCTSSCTSKITGB3ITGA2B
SCHEMBL9102661 0.88 CTSK (0.51) TSHRCTSSCTSKITGB3ITGA2B
SCHEMBL6163781 0.87 TSHR (0.48) TSHRCTSSCTSKKMT2AITGB3
SCHEMBL6163776 0.87 TSHR (0.48) TSHRCTSSCTSKKMT2AITGB3
SCHEMBL27469415 0.87 CTSK (0.52) TSHRCTSSCTSKITGB3ITGA2B
SCHEMBL9103039 0.87 CTSK (0.52) TSHRCTSSCTSKITGB3ITGA2B
SCHEMBL9103036 0.87 CTSK (0.52) TSHRCTSSCTSKITGB3ITGA2B
SCHEMBL14736900 0.82 CTSK (0.50) TSHRCTSSCTSKITGB3ITGA2B
SCHEMBL14144416 0.81 HRH2 (0.47) TSHRCTSKKMT2AMAPK1ALDH1A1

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-20130143858-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS ASTRAZENECA AB (SE) 2013-06-06 US disclosed
US-8361998-B2 Compounds and their use as IKACh blockers ASTRAZENECA AB 2013-01-29 US disclosed
WO-2012074469-A1 NEW IKACH BLOCKERS ASTRAZENECA AB (SE) 2012-06-07 WO disclosed
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS ASTRAZENECA AB (SE) 2012-06-07 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 (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-20130143858-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 TSHR 304/4885CTSS 4715/4885CTSK 4102/4885
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 TSHR 304/4885CTSS 4715/4885CTSK 4102/4885

“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.