SCHEMBL17109784

SCHEMBL17109784

C/C=C(\C(C)=O)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.55
RECQL P46063 1/20 0.52
PTPN2 P17706 1/20 0.48
PTPN1 P18031 1/20 0.48
PTPN6 P29350 1/20 0.48
EPHX1 P07099 1/20 0.46
KMT2A Q03164 1/20 0.44
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GPR119 Q8TDV5 4/20 0.43
STS P08842 5/20 0.43
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL14849627 0.86 HPGD (0.62) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL13599001 0.81 HPGD (0.60) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL4512366 0.80 HPGD (0.62) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL2015039 0.79 HPGD (0.66) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL27530648 0.79 HPGD (0.66) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL26608596 0.79 HPGD (0.66) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL17109787 0.79 HPGD (0.50) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL19626321 0.78 HPGD (0.60) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL28195249 0.77 HPGD (0.68) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL6104806 0.77 HPGD (0.52) HPGDRECQLPTPN2PTPN1PTPN6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10035790-B2 RORγ modulators EXELIXIS, INC. (US) 2018-07-31 US disclosed
US-20150266856-A1 RORGamma Modulators EXELIXIS, INC. 2015-09-24 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-20150266856-A1 RORGamma Modulators RORB, RORA, RORC HPGD 1227/4885RECQL 595/4885PTPN2 855/4885
US-10035790-B2 RORγ modulators RORB, RORA, RORC HPGD 1147/4885RECQL 665/4885PTPN2 855/4885

“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.