Sugi Predict

Sugi Predict / Compounds / SCHEMBL328973

SCHEMBL328973

SCHEMBL328973

CCC/C=C/C(=O)NC1CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.57
▸ TAS1R3 Q7RTX0 1/20 0.49
▸ TAS1R1 Q7RTX1 1/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ RAB9A P51151 1/20 0.41
▸ LMNA P02545 1/20 0.38
▸ EPHX1 P07099 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ CNR2 P34972 2/20 0.37
▸ MAP3K7 O43318 1/20 0.36
▸ TAB1 Q15750 1/20 0.36
▸ CNR1 P21554 1/20 0.36

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
SCHEMBL328974 1.00 POLB (0.57) POLBTAS1R3TAS1R1SMN1; SMN2NPC1
SCHEMBL18556750 0.91 HTT (0.61) POLBTAS1R3TAS1R1SMN1; SMN2NPC1
SCHEMBL4882587 0.85 POLB (0.48) POLBTAS1R3TAS1R1SMN1; SMN2NPC1
SCHEMBL4204560 0.85 POLB (0.48) POLBTAS1R3TAS1R1SMN1; SMN2NPC1
SCHEMBL5275886 0.85 POLB (0.48) POLBTAS1R3TAS1R1SMN1; SMN2NPC1
SCHEMBL3960853 0.84 MEN1 (0.60) POLBALDH1A1MEN1MAPTHPGD
SCHEMBL3087847 0.84 MEN1 (0.60) POLBALDH1A1MEN1MAPTHPGD
SCHEMBL23076115 0.84 POLB (0.55) POLBSMN1; SMN2NPC1HTTGAA
SCHEMBL4881266 0.82 ALDH1A1 (0.50) POLBSMN1; SMN2NPC1HTTGAA
SCHEMBL4447455 0.82 ALDH1A1 (0.50) POLBSMN1; SMN2NPC1HTTGAA

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871904-B2 Processes and intermediates VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-10-28 — — US disclosed
US-8871904-B2 Processes and intermediates VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-10-28 — — US disclosed
US-8871904-B2 Processes and intermediates VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-10-28 — — US disclosed
US-20130172276-A1 PROCESSES AND INTERMEDIATES VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-04 — — US disclosed
US-20130172276-A1 PROCESSES AND INTERMEDIATES VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-04 — — US disclosed
US-20130172276-A1 PROCESSES AND INTERMEDIATES VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-04 — — US disclosed
US-20130131359-A1 PROCESSES AND INTERMEDIATES FOR PREPARING STERIC COMPOUNDS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-23 — — US disclosed
US-20130131359-A1 PROCESSES AND INTERMEDIATES FOR PREPARING STERIC COMPOUNDS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-23 — — US disclosed
US-20130131359-A1 PROCESSES AND INTERMEDIATES FOR PREPARING STERIC COMPOUNDS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-23 — — US disclosed
US-8399615-B2 Processes and intermediates VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-19 — — US disclosed
US-20100063252-A1 PROCESSES AND INTERMEDIATES VERTEX PHARMACEUTICALS INCORPORATED 2010-03-11 — — US disclosed
EP-1993993-A1 PROCESSES AND INTERMEDIATES FOR PREPARING STERIC COMPOUNDS Vertex Pharmaceuticals Incorporated (US) 2008-11-26 — — EP disclosed
WO-2008057995-A2 HCV PROTEASE INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-05-15 — — WO disclosed
US-20080108632-A1 HCV PROTEASE INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-05-08 — — US disclosed
US-20080108632-A1 HCV PROTEASE INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-05-08 — — US disclosed
US-20070244334-A1 Processes and intermediates for preparing steric compounds VERTEX PHARMACEUTICALS INCORPORATED 2007-10-18 — — US disclosed
US-20070244334-A1 Processes and intermediates for preparing steric compounds VERTEX PHARMACEUTICALS INCORPORATED 2007-10-18 — — US disclosed
US-20070244334-A1 Processes and intermediates for preparing steric compounds VERTEX PHARMACEUTICALS INCORPORATED 2007-10-18 — — US disclosed
WO-2007109023-A1 PROCESSES AND INTERMEDIATES FOR PREPARING STERIC COMPOUNDS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-09-27 — — WO disclosed
WO-2007109023-A1 PROCESSES AND INTERMEDIATES FOR PREPARING STERIC COMPOUNDS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-09-27 — — WO 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 (5 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-20100063252-A1 PROCESSES AND INTERMEDIATES TFPI, SPINT2, SERPINB1 POLB 1585/4885TAS1R3 4046/4885TAS1R1 3902/4885
US-20130172276-A1 PROCESSES AND INTERMEDIATES TFPI, SPINT2, SERPINB1 POLB 1585/4885TAS1R3 4046/4885TAS1R1 3902/4885
US-20080108632-A1 HCV PROTEASE INHIBITORS SERPINB1, HAVCR2, RNASE1 POLB 3378/4885TAS1R3 4401/4885TAS1R1 4217/4885
US-20070244334-A1 Processes and intermediates for preparing steric compounds REV1, HSD11B1, CYP11B1 POLB 637/4885TAS1R3 4077/4885TAS1R1 2492/4885
US-20130131359-A1 PROCESSES AND INTERMEDIATES FOR PREPARING STERIC COMPOUNDS REV1, HSD11B1, CYP11B1 POLB 637/4885TAS1R3 4077/4885TAS1R1 2492/4885

“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.