SCHEMBL1102000

SCHEMBL1102000

CCC(=O)Nc1ccc(S(=O)(=O)Cl)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.74
CA1 P00915 4/20 0.70
CA2 P00918 4/20 0.70
CA12 O43570 3/20 0.70
CA9 Q16790 3/20 0.70
ALDH1A1 P00352 4/20 0.55
MAPT P10636 2/20 0.54
PRMT1 Q99873 1/20 0.54
GAA P10253 1/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
CACNA1B Q00975 1/20 0.54
APBA1 Q02410 1/20 0.54
CYP3A4 P08684 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HPGD P15428 1/20 0.51
RAB9A P51151 1/20 0.51
PLK1 P53350 1/20 0.51
CA4 P22748 1/20 0.50
CA7 P43166 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
SCHEMBL10946868 0.86 CA1 (0.71) ATMCA1CA2CA12CA9
SCHEMBL1102036 0.84 ATM (0.77) ATMCA1CA2CA12CA9
SCHEMBL13589490 0.84 ATM (0.77) ATMCA1CA2CA12CA9
SCHEMBL16879902 0.84 ATM (0.77) ATMCA1CA2CA12CA9
SCHEMBL8047403 0.84 PRMT1 (0.77) ATMCA1CA2CA12CA9
SCHEMBL13989319 0.82 GAA (0.73) ATMCA1CA2CA12CA9
SCHEMBL3906878 0.82 ATM (0.74) ATMCA1CA2CA12CA9
SCHEMBL13263684 0.82 CA1 (1.00) ATMCA1CA2CA12CA9
SCHEMBL3906876 0.82 ATM (0.74) ATMCA1CA2CA12CA9
Hydrochloric Acid SCHEMBL27809978 0.82 ATM (0.74) ATMCA1CA2CA12CA9

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 10 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-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-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2006-02-02 US disclosed
US-4160783-A ANTIBIOTICS, BACTERICIDES PLIVA PHARMACEUTICAL AND CHEMICAL WORKS (YU) 1979-07-10 US disclosed
US-3983103-A ANTIBIOTIC PLIVA PHARMACEUTICAL AND CHEMICAL WORKS (YU) 1976-09-28 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 ATM 4801/4885CA1 541/4885CA2 182/4885
US-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels SCNN1G, KCNN3, KCNN2 ATM 4801/4885CA1 541/4885CA2 182/4885
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels SCNN1G, KCNN3, KCNN2 ATM 4801/4885CA1 541/4885CA2 182/4885
US-20130184258-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels SCNN1G, KCNN3, KCNN2 ATM 4801/4885CA1 541/4885CA2 182/4885

“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.