SCHEMBL2434434

SCHEMBL2434434

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.39
ACKR3 P25106 1/20 0.37
KDM4E B2RXH2 2/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
TP53 P04637 2/20 0.36
RXFP1 Q9HBX9 1/20 0.35
NPC1 O15118 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
SMYD3 Q9H7B4 1/20 0.34
CDK9 P50750 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
EZH2 Q15910 1/20 0.33
P2RX3 P56373 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
SCHEMBL2434436 1.00 MAPT (0.39) MAPTACKR3KDM4EHTTATM
SCHEMBL2436046 0.94 ALDH1A1 (0.38) MAPTACKR3KDM4EHTTATM
SCHEMBL2436051 0.94 ALDH1A1 (0.38) MAPTACKR3KDM4EHTTATM
SCHEMBL2429970 0.93 S1PR1 (0.36) MAPTACKR3KDM4EHTTATM
SCHEMBL2429967 0.93 S1PR1 (0.36) MAPTACKR3KDM4EHTTATM
SCHEMBL2430873 0.92 ACKR3 (0.38) ACKR3SMYD3CDK9EZH2P2RX3
SCHEMBL2430867 0.92 ACKR3 (0.38) ACKR3SMYD3CDK9EZH2P2RX3
SCHEMBL2429886 0.89 ACKR3 (0.36) MAPTACKR3KDM4EHTTATM
SCHEMBL2429880 0.89 ACKR3 (0.36) MAPTACKR3KDM4EHTTATM
SCHEMBL2432544 0.88 ALDH1A1 (0.38) ACKR3KDM4EHTTATMSMYD3

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 3 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

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 MAPT 3802/4885ACKR3 3377/4885KDM4E 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.