SCHEMBL16224744

SCHEMBL16224744

CON(C)C(=O)c1ccc(C#N)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.45
MTOR P42345 2/20 0.45
FLT1 P17948 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44
NCEH1 Q6PIU2 1/20 0.40
MRGPRX4 Q96LA9 2/20 0.39
CYP11B1 P15538 2/20 0.39
AR P10275 2/20 0.39
AVPR2 P30518 1/20 0.39
GPR27 Q9NS67 1/20 0.39
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
SLC6A3 Q01959 1/20 0.39
TRPM4 Q8TD43 1/20 0.36
SCN9A Q15858 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36

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
SCHEMBL30033113 0.84 FLT1 (0.48) MTORFLT1FLT4KDRNCEH1
SCHEMBL1011694 0.84 PIK3CA (0.42) PIK3CAMTORNCEH1MRGPRX4AR
SCHEMBL17888648 0.82 PIK3CA (0.45) PIK3CAMTORCYP11B1GPR27SCN9A
SCHEMBL1008380 0.80 CYP3A4 (0.54)
SCHEMBL392298 0.78 FLT1 (0.51) FLT1FLT4KDRNCEH1MRGPRX4
SCHEMBL1348994 0.78 NPC1 (0.44) PIK3CAMTORSLC6A3
SCHEMBL1350607 0.77 ALDH1A1 (0.53) PIK3CAMTORFLT1FLT4KDR
SCHEMBL20247223 0.77 NPC1 (0.49) PIK3CAMTORPDK2SLC6A3
SCHEMBL3362814 0.76 FLT1 (0.51) FLT1FLT4KDRARAVPR2
SCHEMBL286133 0.74 MLYCD (0.51)

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-9868748-B2 Thiazolopyrrolidine inhibitors of ROR- γ VITAE PHARMACEUTICALS, INC. (US) 2018-01-16 US disclosed
US-20170008910-A1 THIAZOLOPYRROLIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2017-01-12 US disclosed
WO-2014179564-A1 THIAZALOPYRROLIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, INC. (US) 2014-11-06 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-20170008910-A1 THIAZOLOPYRROLIDINE INHIBITORS OF ROR-GAMMA RORC, RORB, RORA PIK3CA 3169/4885MTOR 1379/4885FLT1 4090/4885

“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.