SCHEMBL3014159

SCHEMBL3014159

COc1cc(C(O)C(C)NC(=O)O)ccc1SC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.44
BLM P54132 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 1/20 0.40
TAS1R3 Q7RTX0 3/20 0.39
TAS1R1 Q7RTX1 3/20 0.39
GAA P10253 1/20 0.39
ROCK2 O75116 2/20 0.38
ROCK1 Q13464 2/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
HPGD P15428 1/20 0.36
TUBB4A P04350 2/20 0.36
TUBB P07437 2/20 0.36
TUBA3C P0DPH7 2/20 0.36
TUBA1B P68363 2/20 0.36
TUBA4A P68366 2/20 0.36
TUBB4B P68371 2/20 0.36
TUBB3 Q13509 2/20 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
SCHEMBL3014167 1.00 ACHE (0.44) ACHEBLMNPSR1TSHRTAS1R3
SCHEMBL3004098 1.00 ACHE (0.44) ACHEBLMNPSR1TSHRTAS1R3
SCHEMBL3014162 1.00 ACHE (0.44) ACHEBLMNPSR1TSHRTAS1R3
SCHEMBL851093 0.84 ACHE (0.37) ACHEGAAPPARGPPARDPPARA
SCHEMBL836916 0.81 ACHE (0.39) ACHEBLMNPSR1TSHRTAS1R3
SCHEMBL837421 0.81 ACHE (0.39) ACHEBLMNPSR1TSHRTAS1R3
SCHEMBL14889897 0.78 TAS1R3 (0.53) ACHETSHRTAS1R3TAS1R1POLB
SCHEMBL14889896 0.78 TAS1R3 (0.53) ACHETSHRTAS1R3TAS1R1POLB
SCHEMBL835288 0.77 RECQL (0.47) ACHEBLMTSHRPPARGPPARD
SCHEMBL836490 0.77 RECQL (0.47) ACHEBLMTSHRPPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120252770-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 US disclosed
EP-2102169-B1 INDAZOLYL AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2012-06-20 EP disclosed
US-20100197644-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-05 US disclosed
US-7728030-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2010-06-01 US disclosed
US-20080214641-A1 Chemical compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 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 (3 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-20080214641-A1 Chemical compounds 572 ABCG2, ABCB1, CYP11B2 ACHE 1521/4885BLM 987/4885NPSR1 1750/4885
US-20100197644-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 ACHE 1521/4885BLM 987/4885NPSR1 1750/4885
US-20120252770-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 ACHE 1521/4885BLM 987/4885NPSR1 1750/4885

“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.