SCHEMBL12385780

SCHEMBL12385780

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.66
▸ POLB P06746 1/20 0.66
▸ HPGD P15428 2/20 0.61
▸ HSD17B10 Q99714 2/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ ALDH1A1 P00352 4/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ LMNA P02545 1/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.50
▸ CA12 O43570 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA7 P43166 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ CA14 Q9ULX7 1/20 0.50
▸ CHRM2 P08172 1/20 0.49
▸ CHRM4 P08173 1/20 0.49
▸ CHRM1 P11229 1/20 0.49

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
SCHEMBL12384423 0.84 SMN1; SMN2 (0.61) SMN1; SMN2POLBHPGDHSD17B10KMT2A
SCHEMBL20346316 0.81 SMN1; SMN2 (0.97) SMN1; SMN2POLBHPGDHSD17B10ALDH1A1
SCHEMBL12425968 0.80 SMN1; SMN2 (1.00) SMN1; SMN2POLBHPGDHSD17B10ALDH1A1
SCHEMBL24812895 0.78 ALDH1A1 (0.75) SMN1; SMN2POLBHPGDHSD17B10KMT2A
SCHEMBL15014630 0.78 ALDH1A1 (0.75) SMN1; SMN2POLBHPGDHSD17B10KMT2A
SCHEMBL12385779 0.77 ALDH1A1 (0.63) SMN1; SMN2POLBHPGDHSD17B10KMT2A
SCHEMBL6198935 0.73 RECQL (0.75) SMN1; SMN2HPGDKMT2AMEN1ALDH1A1
SCHEMBL6198934 0.73 RECQL (0.75) SMN1; SMN2HPGDKMT2AMEN1ALDH1A1
SCHEMBL18166095 0.73 RECQL (0.75) SMN1; SMN2HPGDKMT2AMEN1ALDH1A1
SCHEMBL1463428 0.71 SMN1; SMN2 (0.58) SMN1; SMN2POLBHSD17B10KMT2AALDH1A1

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-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 — — US disclosed
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
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 660/4885HPGD 223/4885

“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.

Send feedback