SCHEMBL19006938

SCHEMBL19006938

CC(C)(C)S(=O)(=O)NC(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
ALDH1A1 P00352 6/20 0.47
POLB P06746 1/20 0.47
HTT P42858 5/20 0.46
GLA P06280 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
P2RX4 Q99571 1/20 0.41
P2RX7 Q99572 1/20 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
SCHEMBL27445055 0.86 LMNA (0.46) LMNAALDH1A1POLBHTTGLA
SCHEMBL2742128 0.82 ALDH1A1 (0.43) LMNAALDH1A1POLBHTTGLA
SCHEMBL132501 0.79 ALDH1A1 (0.50) LMNAALDH1A1POLBHTTGLA
SCHEMBL23808381 0.78 ALDH1A1 (0.41) LMNAALDH1A1POLBHTTGLA
SCHEMBL24361796 0.78 GLA (0.46) LMNAALDH1A1POLBHTTGLA
SCHEMBL19007321 0.77 GAA (0.37) LMNAALDH1A1CA12CA9
SCHEMBL17693527 0.75 ALDH1A1 (0.57) ALDH1A1GLANPSR1CA12CA9
SCHEMBL3456082 0.73 LMNA (0.69) LMNAALDH1A1HTTGLANPSR1
SCHEMBL29860505 0.71 ALDH1A1 (0.42) LMNAALDH1A1POLBHTTGLA
SCHEMBL16604546 0.70 GAA (0.44) LMNAALDH1A1POLBHTTKDM4E

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-20170174689-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2017-06-22 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-20170174689-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL3 LMNA 3060/4885ALDH1A1 1900/4885POLB 2896/4885

“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.