SCHEMBL11929660

SCHEMBL11929660

COC1=NC(=O)SC1Cc1ccc(OCC2(C)CCCCC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.63
▸ ALDH1A1 P00352 2/20 0.63
▸ CYP3A4 P08684 2/20 0.63
▸ MEN1 O00255 1/20 0.63
▸ TP53 P04637 1/20 0.63
▸ CYP1A2 P05177 1/20 0.63
▸ MAPT P10636 1/20 0.63
▸ ALOX15 P16050 1/20 0.63
▸ TSHR P16473 1/20 0.63
▸ KMT2A Q03164 1/20 0.63
▸ HSD17B10 Q99714 1/20 0.63
▸ TDP1 Q9NUW8 1/20 0.63
▸ PARP1 P09874 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.37
▸ PPARG P37231 9/20 0.36
▸ MPC2 O95563 2/20 0.35
▸ CYP2C8 P10632 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ FFAR1 O14842 2/20 0.34
▸ RXRA P19793 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
SCHEMBL11925114 0.89 HPGD (0.60) HPGDALDH1A1CYP3A4MEN1TP53
SCHEMBL10281583 0.85 HPGD (0.63) HPGDALDH1A1CYP3A4MEN1TP53
SCHEMBL17471488 0.83 HPGD (0.64) HPGDALDH1A1CYP3A4MEN1TP53
Ciglitazone SCHEMBL20125576 0.77 HPGD (1.00) HPGDALDH1A1CYP3A4MEN1TP53
SCHEMBL14648456 0.77 HPGD (0.68) HPGDALDH1A1CYP3A4MEN1TP53
Ciglitazone SCHEMBL20125581 0.77 HPGD (1.00) HPGDALDH1A1CYP3A4MEN1TP53
Ciglitazone SCHEMBL38185 0.77 HPGD (1.00) HPGDALDH1A1CYP3A4MEN1TP53
SCHEMBL11925112 0.77 HPGD (0.61) HPGDALDH1A1CYP3A4MEN1TP53
Ciglitazone SCHEMBL21582134 0.76 HPGD (0.98) HPGDALDH1A1CYP3A4MEN1TP53
Ciglitazone SCHEMBL3189397 0.76 HPGD (0.98) HPGDALDH1A1CYP3A4MEN1TP53

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
US-20180194732-A1 MULTI-API LOADING PRODRUGS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2018-07-12 — — US 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

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-20160024011-A1 Multi-API Loading Prodrugs AADAC, PAICS, ABCG2 HPGD 2055/4885ALDH1A1 525/4885CYP3A4 69/4885
US-20120202823-A1 Multi-API Loading Prodrugs AADAC, PAICS, ABCG2 HPGD 2055/4885ALDH1A1 525/4885CYP3A4 69/4885
US-20180194732-A1 MULTI-API LOADING PRODRUGS AADAC, PAICS, ABCG2 HPGD 2055/4885ALDH1A1 525/4885CYP3A4 69/4885

“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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