SCHEMBL19119021

SCHEMBL19119021

CC(C)(C)OC(=O)N1CCSC(C(=O)Nc2ccc(C#N)c(Cl)c2)C1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN6 P29350 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
F13A1 P00488 1/20 0.41
TGM2 P21980 1/20 0.41
TGM1 P22735 1/20 0.41
TGM3 Q08188 1/20 0.41
AR P10275 11/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38

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
SCHEMBL17729049 0.83 PTPN2 (0.52) MEN1KMT2APTPN2PTPN1PTPN6
SCHEMBL19117951 0.81 RORC (0.53) MEN1KMT2APTPN2PTPN1PTPN6
SCHEMBL19118311 0.81 RORC (0.53) MEN1KMT2APTPN2PTPN1PTPN6
SCHEMBL13238912 0.78 ALDH1A1 (0.53) MEN1KMT2APTPN2PTPN1PTPN6
SCHEMBL19118620 0.75 POLB (0.47) MEN1KMT2AAR
SCHEMBL380969 0.75 ALDH1A1 (0.61) MEN1KMT2APTPN2PTPN1PTPN6
SCHEMBL18197007 0.73 NPC1 (0.40) MEN1KMT2APTPN2PTPN1PTPN6
SCHEMBL173502 0.73 NAMPT (0.46) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL2711455 0.71 DPP4 (0.44) MEN1KMT2ANPC1RAB9AAR
SCHEMBL31616260 0.71 USP2 (0.40) MEN1KMT2APTPN2PTPN1PTPN6

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-10000488-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-19 US disclosed
US-20170253591-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-09-07 US disclosed
EP-3192791-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2017-07-19 EP 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-20170253591-A1 HETEROCYCLIC COMPOUND RORC, RORB, RORA MEN1 3066/4885KMT2A 734/4885PTPN2 1231/4885
US-10000488-B2 Heterocyclic compound RORC, RORB, RORA MEN1 3066/4885KMT2A 734/4885PTPN2 1231/4885

“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.