Sugi Predict

Sugi Predict / Compounds / SCHEMBL12401783

SCHEMBL12401783

SCHEMBL12401783

CN1CCCc2cc(C(C)(C)C)cc(Cl)c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.36
▸ BRD4 O60885 1/20 0.33
▸ BRD2 P25440 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ADRA2A P08913 1/20 0.31
▸ ADRA2B P18089 1/20 0.31
▸ ADRA2C P18825 1/20 0.31
▸ HTR1D P28221 1/20 0.31
▸ GABRA2 P47869 1/20 0.31
▸ GABRB2 P47870 1/20 0.31
▸ TP53 P04637 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL12330396 0.78 NOTUM (0.39) NOTUMBRD4BRD2ALDH1A1GAA
SCHEMBL22004779 0.77 NOTUM (0.38) NOTUMBRD4BRD2ALDH1A1GAA
SCHEMBL9972321 0.75 KMT2A (0.50) ALDH1A1GAAHPGDMEN1MAPT
SCHEMBL4333866 0.73 KMT2A (0.57) NOTUMALDH1A1GAAHPGDMEN1
SCHEMBL25514284 0.73 HTR1D (0.41) NOTUMALDH1A1GAAHPGDMEN1
SCHEMBL9972327 0.73 KMT2A (0.47) ALDH1A1GAAHPGDMEN1MAPT
SCHEMBL25675632 0.73 HRH4 (0.45) BRD4ALDH1A1HPGDMAPTKDM4E
SCHEMBL19398835 0.70 POLB (0.33) ALDH1A1GAAMEN1MAPTKMT2A
SCHEMBL762346 0.70 ALDH1A1 (0.55) NOTUMALDH1A1GAAHPGDMEN1
SCHEMBL12401775 0.70 L3MBTL1 (0.34) GAAMEN1KMT2AADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440706-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-14 — — US disclosed
US-8372873-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-12 — — US disclosed
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-28 — — 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-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 NOTUM 1022/4885BRD4 1338/4885BRD2 3995/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 NOTUM 1022/4885BRD4 1338/4885BRD2 3995/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 NOTUM 1295/4885BRD4 1232/4885BRD2 4055/4885

“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.