SCHEMBL11925111

SCHEMBL11925111

CC(C)N1C(=O)SC(Cc2ccc(OCC3(C)CCCCC3)cc2)C1=O

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.62
▸ MEN1 O00255 1/20 0.62
▸ ALDH1A1 P00352 1/20 0.62
▸ TP53 P04637 1/20 0.62
▸ CYP1A2 P05177 1/20 0.62
▸ CYP3A4 P08684 1/20 0.62
▸ MAPT P10636 1/20 0.62
▸ ALOX15 P16050 1/20 0.62
▸ TSHR P16473 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ HSD17B10 Q99714 1/20 0.62
▸ TDP1 Q9NUW8 1/20 0.62
▸ PARP1 P09874 1/20 0.43
▸ HRH3 Q9Y5N1 2/20 0.39
▸ PPARG P37231 10/20 0.38
▸ FFAR1 O14842 2/20 0.37
▸ PPARA Q07869 2/20 0.37
▸ ACACB O00763 1/20 0.36
▸ MCL1 Q07820 1/20 0.34

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
SCHEMBL10281575 0.86 HPGD (0.69) HPGDMEN1ALDH1A1TP53CYP1A2
SCHEMBL19849385 0.84 HPGD (0.63) HPGDMEN1ALDH1A1TP53CYP1A2
SCHEMBL14648456 0.77 HPGD (0.68) HPGDMEN1ALDH1A1TP53CYP1A2
Ciglitazone SCHEMBL38185 0.77 HPGD (1.00) HPGDMEN1ALDH1A1TP53CYP1A2
Ciglitazone SCHEMBL20125576 0.77 HPGD (1.00) HPGDMEN1ALDH1A1TP53CYP1A2
Ciglitazone SCHEMBL20125581 0.77 HPGD (1.00) HPGDMEN1ALDH1A1TP53CYP1A2
SCHEMBL11925112 0.76 HPGD (0.61) HPGDMEN1ALDH1A1TP53CYP1A2
Ciglitazone SCHEMBL21582134 0.76 HPGD (0.98) HPGDMEN1ALDH1A1TP53CYP1A2
Ciglitazone SCHEMBL3189397 0.76 HPGD (0.98) HPGDMEN1ALDH1A1TP53CYP1A2
SCHEMBL11925114 0.75 HPGD (0.60) HPGDMEN1ALDH1A1TP53CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655314-B1 MULTI-API LOADING PRODRUGS ALKERMES PHARMA IRELAND LTD (IE) 2018-02-07 — — EP disclosed
US-20160024011-A1 Multi-API Loading Prodrugs ALKERMES PHARMA IRELAND LTD (IE) 2016-01-28 — — US disclosed
US-20120202823-A1 Multi-API Loading Prodrugs ALKERMES, INC. 2012-08-09 — — US disclosed
US-20120202823-A1 Multi-API Loading Prodrugs ALKERMES, INC. 2012-08-09 — — 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 (2 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-20160024011-A1 Multi-API Loading Prodrugs AADAC, PAICS, ABCG2 HPGD 2055/4885MEN1 2927/4885ALDH1A1 525/4885
US-20120202823-A1 Multi-API Loading Prodrugs AADAC, PAICS, ABCG2 HPGD 2055/4885MEN1 2927/4885ALDH1A1 525/4885

“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.

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