SCHEMBL13698795

SCHEMBL13698795

C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.53
▸ RECQL P46063 1/20 0.50
▸ EPHX1 P07099 1/20 0.50
▸ USP2 O75604 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ MAPT P10636 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ GPR119 Q8TDV5 3/20 0.47
▸ NR1H2 P55055 1/20 0.46
▸ CHRM2 P08172 1/20 0.46
▸ CHRM1 P11229 1/20 0.46
▸ CHRM3 P20309 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ PTPN2 P17706 1/20 0.46
▸ PTPN1 P18031 1/20 0.46
▸ PTPN6 P29350 1/20 0.46
▸ USP30 Q70CQ3 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
SCHEMBL12938788 1.00 HPGD (0.53) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL13698796 1.00 HPGD (0.53) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL10137483 1.00 HPGD (0.53) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL20645444 1.00 HPGD (0.53) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL15888112 1.00 HPGD (0.53) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL19012969 0.88 HPGD (0.56) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL15764147 0.86 NR1H2 (0.58) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL15764146 0.86 NR1H2 (0.58) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL13801217 0.86 NR1H2 (0.58) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL12035619 0.86 NR1H2 (0.58) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227620-A1 ANTI-INFLAMMATORY COMPOUNDS MEINGASSNER JOSEF GOTTFRIED 2009-09-10 — — US disclosed
US-7482462-B2 Acylsulfonamides as inhibitors of steroid sulfatase NOVARTIS AG (CH) 2009-01-27 — — US disclosed
US-20080293758-A1 Combination of a Steroid Sulfatase Inhibitor and an Ascomycin NOVARTIS AG (CH) 2008-11-27 — — 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-20080293758-A1 Combination of a Steroid Sulfatase Inhibitor and an Ascomycin STS, ARSA, CYP17A1 HPGD 2058/4885RECQL 3459/4885EPHX1 922/4885
US-20090227620-A1 ANTI-INFLAMMATORY COMPOUNDS STS, SERPINB1, MPO HPGD 301/4885RECQL 3192/4885EPHX1 379/4885

“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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