SCHEMBL13287262

SCHEMBL13287262

CC(=O)NS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
DHFR P00374 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
FABP4 P15090 1/20 0.43
PKM P14618 2/20 0.40
POLB P06746 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 2/20 0.34
PTGS2 P35354 1/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL4547691 0.80 SMN1; SMN2 (0.44) SMN1; SMN2DHFRTSHRTDP1FABP4
SCHEMBL27284022 0.74 CA1 (0.54) SMN1; SMN2DHFRTSHRTDP1PKM
SCHEMBL9176627 0.74 CA1 (0.62) SMN1; SMN2DHFRTSHRTDP1FABP4
SCHEMBL4547692 0.70 SMN1; SMN2 (0.47) SMN1; SMN2DHFRTSHRTDP1PKM
SCHEMBL5931251 0.67 SMN1; SMN2 (0.69) SMN1; SMN2DHFRTSHRTDP1PKM
SCHEMBL3548718 0.64 CA1 (0.52) SMN1; SMN2DHFRTSHRTDP1POLB
SCHEMBL3310419 0.64 CA2 (0.41) SMN1; SMN2DHFRTSHRTDP1PKM
SCHEMBL209632 0.64 DHFR (0.66) SMN1; SMN2DHFRTSHRTDP1PKM
SCHEMBL7541831 0.62 SMN1; SMN2 (0.69) SMN1; SMN2DHFRTSHRTDP1PKM
SCHEMBL208791 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140057890-A1 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBVIE INC. (US) 2014-02-27 US disclosed
US-20140057889-A1 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBVIE INC. (US) 2014-02-27 US disclosed
US-20100152183-A1 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-06-17 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 (3 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-20100152183-A1 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES BCL2, BCL3, BCL2L1 SMN1; SMN2 2213/4885DHFR 902/4885TSHR 4277/4885
US-20140057890-A1 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES BCL2, BCL3, BCL2L1 SMN1; SMN2 2213/4885DHFR 902/4885TSHR 4277/4885
US-20140057889-A1 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES BCL2, BCL3, BCL2L1 SMN1; SMN2 2213/4885DHFR 902/4885TSHR 4277/4885

“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.