SCHEMBL1102247

SCHEMBL1102247

C=CCn1c(SC)nc2sc3c(c2c1=O)CCC3

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.66
▸ TDP1 Q9NUW8 2/20 0.66
▸ ALDH1A1 P00352 5/20 0.63
▸ NPSR1 Q6W5P4 4/20 0.63
▸ MAPT P10636 3/20 0.63
▸ SMN1; SMN2 Q16637 3/20 0.63
▸ LMNA P02545 3/20 0.62
▸ TSHR P16473 3/20 0.62
▸ HTT P42858 2/20 0.62
▸ KDM4E B2RXH2 2/20 0.62
▸ GAA P10253 1/20 0.62
▸ MAPK1 P28482 2/20 0.60
▸ ATM Q13315 1/20 0.60
▸ KMT2A Q03164 2/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ PKM P14618 1/20 0.55
▸ NR4A1 P22736 1/20 0.54
▸ APEX1 P27695 1/20 0.54
▸ APOBEC3A P31941 1/20 0.54
▸ PTPN7 P35236 1/20 0.54

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
SCHEMBL1101912 0.98 ALDH1A1 (0.66) POLBTDP1ALDH1A1NPSR1MAPT
SCHEMBL5805038 0.84 POLB (0.64) POLBTDP1ALDH1A1NPSR1MAPT
SCHEMBL1101914 0.83 POLB (0.76) POLBTDP1ALDH1A1NPSR1MAPT
SCHEMBL5804877 0.82 NPSR1 (0.65) POLBTDP1ALDH1A1NPSR1MAPT
SCHEMBL19079782 0.81 TSHR (0.73) POLBTDP1ALDH1A1NPSR1MAPT
SCHEMBL3911841 0.81 TP53 (0.68) POLBTDP1ALDH1A1NPSR1MAPT
SCHEMBL19079854 0.81 PDE4D (0.67) POLBTDP1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3914163 0.80 ALDH1A1 (0.77) POLBTDP1ALDH1A1NPSR1MAPT
SCHEMBL19079821 0.79 TSHR (0.67) POLBTDP1ALDH1A1NPSR1MAPT
SCHEMBL19079697 0.77 TSHR (0.81) POLBTDP1ALDH1A1NPSR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130184258-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-18 — — US disclosed
US-8309543-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 — — US disclosed
US-8309543-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 — — US disclosed
US-20120238578-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 — — US disclosed
US-20120238578-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 — — US disclosed
US-8202861-B2 Drugs for various disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-19 — — US disclosed
US-8153655-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 — — US disclosed
US-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-08 — — US disclosed
US-7615563-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2009-11-10 — — US disclosed
US-7615563-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2009-11-10 — — US disclosed
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2006-02-02 — — US disclosed
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2006-02-02 — — 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 (4 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-20120238578-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS SCNN1G, KCNN3, KCNN2 POLB 4241/4885TDP1 2356/4885ALDH1A1 2811/4885
US-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels SCNN1G, KCNN3, KCNN2 POLB 4241/4885TDP1 2356/4885ALDH1A1 2811/4885
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels SCNN1G, KCNN3, KCNN2 POLB 4241/4885TDP1 2356/4885ALDH1A1 2811/4885
US-20130184258-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels SCNN1G, KCNN3, KCNN2 POLB 4241/4885TDP1 2356/4885ALDH1A1 2811/4885

“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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