SCHEMBL12425968

SCHEMBL12425968

O=C(CS(=O)(=O)c1ccccc1)N1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 1.00
▸ POLB P06746 3/20 1.00
▸ ALDH1A1 P00352 5/20 0.72
▸ HSD17B10 Q99714 1/20 0.72
▸ HTT P42858 2/20 0.69
▸ GAA P10253 1/20 0.57
▸ RAB9A P51151 3/20 0.55
▸ NPC1 O15118 3/20 0.55
▸ LMNA P02545 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL20346316 0.98 SMN1; SMN2 (0.97) SMN1; SMN2POLBALDH1A1HSD17B10HTT
SCHEMBL24815673 0.80 SMN1; SMN2 (0.67) SMN1; SMN2POLBALDH1A1HSD17B10HTT
SCHEMBL29986910 0.80 SMN1; SMN2 (0.67) SMN1; SMN2POLBALDH1A1HSD17B10HTT
SCHEMBL12385780 0.80 SMN1; SMN2 (0.66) SMN1; SMN2POLBALDH1A1HSD17B10GAA
SCHEMBL19277488 0.79 POLB (0.65) SMN1; SMN2POLBALDH1A1HSD17B10HTT
SCHEMBL12384423 0.77 SMN1; SMN2 (0.61) SMN1; SMN2POLBALDH1A1HSD17B10HTT
SCHEMBL19277458 0.76 POLB (0.61) SMN1; SMN2POLBALDH1A1HSD17B10HTT
SCHEMBL6032510 0.76 SMN1; SMN2 (0.60) SMN1; SMN2POLBALDH1A1HSD17B10HTT
SCHEMBL1493731 0.75 POLB (0.60) SMN1; SMN2POLBALDH1A1HTTRAB9A
SCHEMBL1463428 0.74 SMN1; SMN2 (0.58) SMN1; SMN2POLBALDH1A1HSD17B10HTT

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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 — — US disclosed
WO-2011086053-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2011-07-21 — — 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 (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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