Sugi Predict

Sugi Predict / Compounds / SCHEMBL14943441

SCHEMBL14943441

SCHEMBL14943441

CCCC(NC)C(=O)C(=O)NCc1cccc(NS(C)(=O)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 4/20 0.43
▸ ROCK1 Q13464 3/20 0.43
▸ PTPN1 P18031 1/20 0.42
▸ MAPK14 Q16539 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CTSK P43235 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ NR3C1 P04150 1/20 0.39
▸ CYP1A2 P05177 3/20 0.38
▸ CYP3A4 P08684 3/20 0.38
▸ CYP2C19 P33261 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ USP2 O75604 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ TP53 P04637 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CLK4 Q9HAZ1 1/20 0.38

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
SCHEMBL12401694 0.88 CTSK (0.41) ROCK2ROCK1PTPN1MAPK14ALDH1A1
SCHEMBL15338786 0.85 ROCK2 (0.43) ROCK2ROCK1PTPN1MAPK14ALDH1A1
SCHEMBL14943765 0.79 CTSK (0.56) ALDH1A1SMN1; SMN2CTSKPOLBCYP3A4
SCHEMBL14943235 0.79 CTSK (0.42) ROCK2SMN1; SMN2CTSKTSHRKMT2A
SCHEMBL13853858 0.76 ROCK2 (0.55) ROCK2ROCK1PTPN1MAPK14ALDH1A1
SCHEMBL6122391 0.75 PTPN1 (0.53) ROCK2ROCK1PTPN1MAPK14ALDH1A1
SCHEMBL6122894 0.75 ROCK2 (0.48) ROCK2ROCK1PTPN1MAPK14ALDH1A1
SCHEMBL14943570 0.73 CTSK (0.60) ALDH1A1SMN1; SMN2CTSKPOLBLMNA
SCHEMBL8132918 0.72 LMNA (0.48) POLBLMNAKMT2AMAPK1KDM4E
SCHEMBL14943763 0.72 LMNA (0.58) ALDH1A1SMN1; SMN2CTSKCYP3A4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575208-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-05 — — US disclosed
EP-2366704-B1 Inhibitors of serine proteases VERTEX PHARMA (US) 2013-10-23 — — EP disclosed
US-8440706-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-14 — — US disclosed
US-7985762-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 — — US disclosed
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-07 — — US disclosed
US-7964624-B1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-21 — — US disclosed
US-20100272681-A1 Inhibitors of Serine Proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-28 — — US disclosed
US-20070179167-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 — — 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 (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-20110165120-A1 INHIBITORS OF SERINE PROTEASES PRSS1, PRSS3, PRSS2 ROCK2 4503/4885ROCK1 3310/4885PTPN1 498/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 ROCK2 4503/4885ROCK1 3310/4885PTPN1 498/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 ROCK2 3627/4885ROCK1 2761/4885PTPN1 1064/4885

“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.