SCHEMBL16659922

SCHEMBL16659922

CC(C)(C)OC(=O)N1CC[C@@H](O)[C@](C)(O)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.47
▸ RECQL P46063 1/20 0.44
▸ EPHX1 P07099 1/20 0.44
▸ USP2 O75604 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ GPR119 Q8TDV5 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ PTPN2 P17706 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ PTPN6 P29350 1/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ PKM P14618 1/20 0.40
▸ DDB1 Q16531 1/20 0.40
▸ CRBN Q96SW2 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL16653188 1.00 HPGD (0.47) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL29958800 1.00 HPGD (0.47) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL16653189 1.00 HPGD (0.47) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL16653187 1.00 HPGD (0.47) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL14671956 0.86 HPGD (0.48) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL2777507 0.86 HPGD (0.48) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL14671811 0.86 HPGD (0.48) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL15740632 0.83 EPHX1 (0.47) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL31080572 0.83 EPHX1 (0.47) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL31080158 0.83 EPHX1 (0.47) HPGDRECQLEPHX1USP2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9642852-B2 Sulfur-containing bicyclic compound ASTELLAS PHARMA INC. (JP) 2017-05-09 — — US disclosed
US-9642852-B2 Sulfur-containing bicyclic compound ASTELLAS PHARMA INC. (JP) 2017-05-09 — — US disclosed
EP-3059239-A1 SULFUR-CONTAINING BICYCLIC COMPOUND Astellas Pharma Inc. (JP) 2016-08-24 — — EP disclosed
US-20150231138-A1 SULFUR-CONTAINING BICYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2015-08-20 — — US disclosed
US-9051339-B2 Sulfur-containing bicyclic compound ASTELLAS PHARMA INC. (JP) 2015-06-09 — — US disclosed
US-9051339-B2 Sulfur-containing bicyclic compound ASTELLAS PHARMA INC. (JP) 2015-06-09 — — US disclosed
US-20150111876-A1 SULFUR-CONTAINING BICYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2015-04-23 — — 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-20150111876-A1 SULFUR-CONTAINING BICYCLIC COMPOUND GABRB1, GABRA1, GABBR1 HPGD 4596/4885RECQL 3304/4885EPHX1 4662/4885
US-20150231138-A1 SULFUR-CONTAINING BICYCLIC COMPOUND GABBR1, GABRB1, GRIN2C HPGD 4456/4885RECQL 4018/4885EPHX1 4626/4885

“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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