Sugi Predict

Sugi Predict / Compounds / SCHEMBL2436046

SCHEMBL2436046

SCHEMBL2436046

COCCN(c1cc(-c2ccc(NC(=O)c3cn(C)cn3)cc2)sc1C(=O)OC)C(=O)[C@H]1CC[C@H](C)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 6/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ ACKR3 P25106 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ TP53 P04637 2/20 0.34
▸ CDK9 P50750 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ SMYD3 Q9H7B4 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
▸ MAP3K7 O43318 1/20 0.33
▸ PRMT5 O14744 1/20 0.32
▸ WDR77 Q9BQA1 1/20 0.32

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
SCHEMBL2436051 1.00 ALDH1A1 (0.38) ALDH1A1MAPTS1PR1ACKR3KDM4E
SCHEMBL2432537 0.94 ALDH1A1 (0.38) ALDH1A1S1PR1ACKR3KDM4EHTT
SCHEMBL2432544 0.94 ALDH1A1 (0.38) ALDH1A1S1PR1ACKR3KDM4EHTT
SCHEMBL2434434 0.94 MAPT (0.39) ALDH1A1MAPTACKR3KDM4EHTT
SCHEMBL2434436 0.94 MAPT (0.39) ALDH1A1MAPTACKR3KDM4EHTT
SCHEMBL2429967 0.92 S1PR1 (0.36) MAPTS1PR1ACKR3KDM4EHTT
SCHEMBL2429970 0.92 S1PR1 (0.36) MAPTS1PR1ACKR3KDM4EHTT
SCHEMBL13630804 0.89 ALDH1A1 (0.38) ALDH1A1S1PR1ACKR3CDK9SMYD3
SCHEMBL2433249 0.88 ACKR3 (0.34) MAPTS1PR1ACKR3KDM4EHTT
SCHEMBL2433246 0.88 ACKR3 (0.34) MAPTS1PR1ACKR3KDM4EHTT

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 6 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
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 ALDH1A1 860/4885MAPT 3802/4885S1PR1 2888/4885

“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.