SCHEMBL31083994

SCHEMBL31083994

COC1(c2ccc(OC(F)F)cc2)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.39
CTSD P07339 1/20 0.39
CTSE P14091 1/20 0.39
ALDH1A1 P00352 1/20 0.38
RORC P51449 8/20 0.36
PDE4D Q08499 1/20 0.36
STS P08842 1/20 0.35
RET P07949 1/20 0.35
GPR119 Q8TDV5 1/20 0.34
POLB P06746 1/20 0.34
ALOX15 P16050 1/20 0.34
GFER P55789 1/20 0.34
ADAM17 P78536 1/20 0.34

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
SCHEMBL31084017 0.85 RORC (0.38) BACE1CTSDCTSEALDH1A1RORC
SCHEMBL20743058 0.83 RORC (0.47) RORC
SCHEMBL31084016 0.81 MEN1 (0.50) RORCSTSPOLB
SCHEMBL15223000 0.80 RORC (0.49) RORCGPR119ALOX15
SCHEMBL31084030 0.79 RORC (0.42) BACE1CTSDCTSERORCALOX15
SCHEMBL31084053 0.75 RORC (0.45) RORC
SCHEMBL31084002 0.75 RORC (0.40) RORCGPR119POLB
SCHEMBL31158755 0.74 RORC (0.44) RORC
SCHEMBL7078017 0.73 MAPT (0.60) ALDH1A1GPR119
SCHEMBL27961783 0.73 RORC (0.46) ALDH1A1RORCPDE4D

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
EP-4674852-A1 PREPARATION METHOD FOR AND USE OF DIHYDROTHIENOPYRIMIDINE DERIVATIVE Innovstone Therapeutics Limited (CN) 2026-01-07 EP disclosed
CN-118871444-A Preparation method and application of dihydro-thienopyrimidine derivative 上海翊石医药科技有限公司 2024-10-29 CN disclosed
WO-2024179493-A1 PREPARATION METHOD FOR AND USE OF DIHYDROTHIENOPYRIMIDINE DERIVATIVE 上海翊石医药科技有限公司 2024-09-06 WO disclosed