SCHEMBL2586890

SCHEMBL2586890

CC(C)(C)C1C(OS(C)(=O)=O)CCCN1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 2/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.32
RIPK1 Q13546 1/20 0.32
DPP4 P27487 2/20 0.31
PREP P48147 1/20 0.31
FAP Q12884 1/20 0.31
HCRTR2 O43614 2/20 0.31

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
SCHEMBL18007258 1.00 HSD17B10 (0.36) HSD17B10SMN1; SMN2LMNACYP2C19RAB9A
SCHEMBL344781 0.91 HSD17B10 (0.30) HSD17B10
SCHEMBL18393475 0.91 HSD17B10 (0.30) HSD17B10
SCHEMBL344780 0.91 HSD17B10 (0.30) HSD17B10
SCHEMBL1786234 0.91 HSD17B10 (0.30) HSD17B10
SCHEMBL1791330 0.91 HSD17B10 (0.30) HSD17B10
SCHEMBL2881728 0.81 POLB (0.30)
SCHEMBL2936194 0.81
SCHEMBL19468591 0.81
SCHEMBL3658975 0.80 DPP4 (0.35) HSD17B10SMN1; SMN2RAB9ADPP4PREP

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
WO-2016170545-A1 PROCESS FOR THE PREPARATION OF 1-[(3R)-3-[4-AMINO-3-(4-PHENOXYPHENVL)-1H- PVRAZOLO[3,4-D]PYRINIIDIN-1-Y1]-1-PIPERIDINVL]-2-PROPEN-1-ONE AND ITS POLYMORPHS THEREOF MSN LABORATORIES PRIVATE LIMITED (IN) 2016-10-27 WO claimed
WO-2016170545-A1 PROCESS FOR THE PREPARATION OF 1-[(3R)-3-[4-AMINO-3-(4-PHENOXYPHENVL)-1H- PVRAZOLO[3,4-D]PYRINIIDIN-1-Y1]-1-PIPERIDINVL]-2-PROPEN-1-ONE AND ITS POLYMORPHS THEREOF MSN LABORATORIES PRIVATE LIMITED (IN) 2016-10-27 WO disclosed
WO-2016132383-A1 PROCESS FOR THE PREPARATION OF IBRUTINIB MYLAN LABORATORIES LIMITED (IN) 2016-08-25 WO disclosed
US-20130131043-A1 PYRAZOLE COMPOUNDS AS JAK INHIBITORS CELLZOME LIMITED (GB) 2013-05-23 US disclosed
EP-2566867-A1 PYRAZOLE COMPOUNDS AS JAK INHIBITORS Cellzome Limited (GB) 2013-03-13 EP disclosed
WO-2011134831-A1 PYRAZOLE COMPOUNDS AS JAK INHIBITORS CELLZOME LIMITED (GB) 2011-11-03 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 (1 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-20130131043-A1 PYRAZOLE COMPOUNDS AS JAK INHIBITORS JAK1, JAK3, JAK2 HSD17B10 4195/4885SMN1; SMN2 4787/4885LMNA 4391/4885

“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.