Sugi Predict

Sugi Predict / Compounds / SCHEMBL771590

SCHEMBL771590

SCHEMBL771590

[CH2]C(=O)N1CCCc2ccccc21

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.74
▸ NOTUM Q6P988 1/20 0.70
▸ SIGMAR1 Q99720 1/20 0.64
▸ HTT P42858 2/20 0.62
▸ ALDH1A1 P00352 1/20 0.62
▸ MAPT P10636 1/20 0.62
▸ HPGD P15428 1/20 0.62
▸ TSHR P16473 3/20 0.60
▸ MEN1 O00255 2/20 0.60
▸ KMT2A Q03164 2/20 0.60
▸ POLB P06746 2/20 0.60
▸ NPSR1 Q6W5P4 1/20 0.60
▸ MGLL Q99685 1/20 0.58
▸ RECQL P46063 1/20 0.57

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
SCHEMBL6000060 0.89 NOTUM (0.68) SMN1; SMN2NOTUMSIGMAR1ALDH1A1MAPT
SCHEMBL4019697 0.85 SMN1; SMN2 (0.79) SMN1; SMN2NOTUMSIGMAR1HTTALDH1A1
SCHEMBL2829456 0.84 SMN1; SMN2 (0.77) SMN1; SMN2NOTUMSIGMAR1HTTALDH1A1
SCHEMBL4291340 0.84 SMN1; SMN2 (0.77) SMN1; SMN2NOTUMSIGMAR1HTTALDH1A1
SCHEMBL29353444 0.84 SMN1; SMN2 (0.77) SMN1; SMN2NOTUMSIGMAR1HTTALDH1A1
SCHEMBL13311774 0.82 SMN1; SMN2 (0.74) SMN1; SMN2NOTUMSIGMAR1HTTALDH1A1
SCHEMBL3120560 0.82 SMN1; SMN2 (0.74) SMN1; SMN2NOTUMSIGMAR1HTTALDH1A1
SCHEMBL5356744 0.82 SMN1; SMN2 (0.74) SMN1; SMN2NOTUMSIGMAR1HTTALDH1A1
SCHEMBL4295603 0.82 SMN1; SMN2 (0.74) SMN1; SMN2NOTUMSIGMAR1HTTALDH1A1
Hydrochloric Acid SCHEMBL11845665 0.82 SMN1; SMN2 (0.74) SMN1; SMN2NOTUMSIGMAR1HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9850203-B2 Autotaxin inhibitor compounds PHARMAKEA, INC. (US) 2017-12-26 — — US disclosed
EP-3049405-A1 AUTOTAXIN INHIBITOR COMPOUNDS Pharmakea Inc. (US) 2016-08-03 — — EP disclosed
US-20160214935-A1 AUTOTAXIN INHIBITOR COMPOUNDS DF 2024 IP ACQUISITION, LLC 2016-07-28 — — US disclosed
WO-2015048301-A1 AUTOTAXIN INHIBITOR COMPOUNDS PHARMAKEA, INC. (US) 2015-04-02 — — WO disclosed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 — — US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 — — US disclosed
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 — — EP disclosed
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 — — US disclosed
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 — — EP disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 — — US disclosed
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 — — EP disclosed
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2006-07-27 — — US disclosed
EP-1317459-B1 BICYCLIC PYRROLYL AMIDES AS GLUCOGEN PHOSPHORYLASE INHIBITORS ASTRAZENECA AB (SE) 2004-04-07 — — EP disclosed
US-20030232875-A1 Bicyclic pyrrolyl amides as glucogen phosphorylase inhibitors ASTRAZENECA AB (SE) 2003-12-18 — — US disclosed
EP-1317459-A1 BICYCLIC PYRROLYL AMIDES AS GLUCOGEN PHOSPHORYLASE INHIBITORS AstraZeneca AB (SE) 2003-06-11 — — EP disclosed
WO-2002020530-A1 BICYCLIC PYRROLYL AMIDES AS GLUCOGEN PHOSPHORYLASE INHIBITORS ASTRAZENECA AB (SE) 2002-03-14 — — 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 SMN1; SMN2 4306/4885NOTUM 548/4885SIGMAR1 3155/4885
US-20030232875-A1 Bicyclic pyrrolyl amides as glucogen phosphorylase inhibitors GYS1, GYS2, PYGL SMN1; SMN2 2364/4885NOTUM 2692/4885SIGMAR1 1258/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 SMN1; SMN2 4399/4885NOTUM 372/4885SIGMAR1 1379/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 SMN1; SMN2 4306/4885NOTUM 548/4885SIGMAR1 3155/4885
US-20160214935-A1 AUTOTAXIN INHIBITOR COMPOUNDS ENPP2, SERPINB1, SERPINE1 SMN1; SMN2 2892/4885NOTUM 2534/4885SIGMAR1 4804/4885

“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.