Sugi Predict

Sugi Predict / Compounds / SCHEMBL2430780

SCHEMBL2430780

SCHEMBL2430780

COC(=O)c1sc(-c2ccc(NC(=O)c3cccnn3)cc2)cc1N(CC1CC1)C(=O)[C@H]1CC[C@H](C)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.37
▸ HTT P42858 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ AHR P35869 1/20 0.37
▸ MAPT P10636 5/20 0.36
▸ TP53 P04637 2/20 0.36
▸ ACKR3 P25106 1/20 0.36
▸ PTPN1 P18031 1/20 0.35
▸ P2RX3 P56373 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SENP8 Q96LD8 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP6 Q9GZR1 1/20 0.33

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
SCHEMBL2430784 1.00 KMT2A (0.41) KMT2AMEN1KDM4EHTTATM
SCHEMBL2428387 0.92 AHR (0.38) KMT2AMEN1AHRACKR3P2RX3
SCHEMBL2428386 0.92 AHR (0.38) KMT2AMEN1AHRACKR3P2RX3
SCHEMBL2436040 0.91 PTPN1 (0.45) KDM4EHTTATMMAPTTP53
SCHEMBL2436043 0.91 PTPN1 (0.45) KDM4EHTTATMMAPTTP53
SCHEMBL2431406 0.87 RAB9A (0.41) KMT2AMEN1MAPTTP53NPC1
SCHEMBL2431405 0.87 RAB9A (0.41) KMT2AMEN1MAPTTP53NPC1
SCHEMBL2432217 0.86 KDM4E (0.36) KMT2AKDM4EHTTATMMAPT
SCHEMBL2435764 0.86 KMT2A (0.42) KMT2AMEN1KDM4EHTTATM
SCHEMBL2431558 0.86 KMT2A (0.42) KMT2AMEN1KDM4EHTTATM

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
EP-2086966-B1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-09-14 — — EP disclosed
US-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION 2009-11-05 — — US disclosed
US-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION 2009-11-05 — — US disclosed
US-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION 2009-11-05 — — US disclosed
EP-2086966-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SmithKline Beecham Corporation (US) 2009-08-12 — — EP disclosed
WO-2008059042-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2008-05-22 — — WO disclosed
WO-2008059042-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2008-05-22 — — 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 (1 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-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS EIF2AK2, HAVCR2, GTF3C2 KMT2A 2967/4885MEN1 4775/4885KDM4E 1120/4885

“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.