SCHEMBL12384423

SCHEMBL12384423

CC(C)(C)[C@@H]1CCCN(C(=O)CS(=O)(=O)c2ccccc2)C1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.61
▸ POLB P06746 1/20 0.61
▸ ALDH1A1 P00352 4/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ HTT P42858 1/20 0.48
▸ HSD11B1 P28845 1/20 0.46
▸ KMT2A Q03164 2/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ RECQL P46063 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CRHBP P24387 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42
▸ LMNA P02545 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
SCHEMBL12385780 0.84 SMN1; SMN2 (0.66) SMN1; SMN2POLBALDH1A1HSD17B10KMT2A
SCHEMBL12384428 0.79 ALDH1A1 (0.40) POLBALDH1A1HSD11B1KMT2ALMNA
SCHEMBL20346316 0.78 SMN1; SMN2 (0.97) SMN1; SMN2POLBALDH1A1HSD17B10HTT
SCHEMBL12425968 0.77 SMN1; SMN2 (1.00) SMN1; SMN2POLBALDH1A1HSD17B10HTT
SCHEMBL10224144 0.75 KMT2A (0.55) POLBALDH1A1HSD11B1KMT2ARECQL
SCHEMBL20464225 0.72 ALDH1A1 (0.44) SMN1; SMN2POLBALDH1A1HSD11B1KMT2A
SCHEMBL13781662 0.72 MEN1 (0.44) POLBALDH1A1HSD11B1KMT2ALMNA
SCHEMBL10224222 0.72 POLB (0.56) SMN1; SMN2POLBALDH1A1KMT2ALMNA
SCHEMBL12904501 0.72 SMN1; SMN2 (0.56) SMN1; SMN2HTTKMT2ANPC1RAB9A
SCHEMBL12424421 0.71 ALDH1A1 (0.62) SMN1; SMN2POLBALDH1A1HSD11B1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 — — US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 — — 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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 SMN1; SMN2 4086/4885POLB 660/4885ALDH1A1 1168/4885

“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.

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