SCHEMBL2313754

SCHEMBL2313754

CC1(C)OB(O)c2cc(NC(=O)C3CCCCC3)ccc21

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 4/20 0.48
HPGD P15428 3/20 0.48
HSD17B10 Q99714 2/20 0.48
PTPN1 P18031 1/20 0.48
NPSR1 Q6W5P4 2/20 0.47
LMNA P02545 2/20 0.47
CASP3 P42574 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL2309415 0.99 NPSR1 (0.48) NPC1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2311462 0.96 KDM4E (0.48) NPC1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2307459 0.94 NAMPT (0.46) NPC1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2312972 0.79 JAK3 (0.46) NPC1ALDH1A1KDM4ENPSR1LMNA
SCHEMBL2281590 0.77 CA1 (0.64) ALDH1A1
SCHEMBL2311822 0.74 FKBP5 (0.48) NPC1GAASMN1; SMN2
SCHEMBL2313316 0.74 JAK3 (0.47) NPC1HPGDSMN1; SMN2
SCHEMBL22757547 0.73 JAK3 (0.39)
SCHEMBL2313546 0.73 HTT (0.46) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL2310567 0.73 NPC1 (0.51) NPC1ALDH1A1KDM4EHPGDNPSR1

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
US-20190256530-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. 2019-08-22 US disclosed
US-10301329-B2 Boron-containing small molecules as antiprotozoal agents ANACOR PHARMACEUTICALS, INC. (US) 2019-05-28 US disclosed
US-9440994-B2 Boron containing small molecules as antiprotozoal agents ANACOR PHARMACEUTICALS, INC. (US) 2016-09-13 US disclosed
US-20110190235-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
US-20110190235-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
WO-2011019618-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2011-02-17 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 (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-20110190235-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP NPC1 216/4885ALDH1A1 4684/4885KDM4E 3726/4885
US-10301329-B2 Boron-containing small molecules as antiprotozoal agents BTD, BAD, BRI3BP NPC1 216/4885ALDH1A1 4684/4885KDM4E 3726/4885
US-20190256530-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP NPC1 216/4885ALDH1A1 4684/4885KDM4E 3726/4885

“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.