SCHEMBL9474451

SCHEMBL9474451

COc1cc(OC(F)(F)F)ccc1N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.63
CYP3A4 P08684 3/20 0.63
HSD17B10 Q99714 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
TSHR P16473 1/20 0.52
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 1/20 0.43
APP P05067 1/20 0.42
RUNX1 Q01196 1/20 0.42
GPR3 P46089 1/20 0.42
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GMNN O75496 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL13580991 0.90 ALDH1A1 (0.56) ALDH1A1CYP3A4HSD17B10TDP1TSHR
SCHEMBL13581001 0.86 ALDH1A1 (0.65) ALDH1A1CYP3A4HSD17B10TDP1TSHR
SCHEMBL25369158 0.85 ALDH1A1 (0.63) ALDH1A1CYP3A4HSD17B10TDP1TSHR
SCHEMBL5114311 0.85 ALDH1A1 (0.63) ALDH1A1CYP3A4HSD17B10TDP1MEN1
SCHEMBL12428887 0.83 ALDH1A1 (0.66) ALDH1A1CYP3A4HSD17B10TDP1TSHR
SCHEMBL12422184 0.82 CA12 (0.61) RUNX1GPR3CYP1A2CYP2C9CA12
SCHEMBL29466231 0.80 ALDH1A1 (0.95) ALDH1A1CYP3A4HSD17B10TDP1TSHR
SCHEMBL76745 0.80 ALDH1A1 (0.95) ALDH1A1CYP3A4HSD17B10TDP1TSHR
SCHEMBL12180463 0.79 GPR3 (0.44) RUNX1GPR3SCN5ACA12CA1
SCHEMBL3027958 0.79 GPR3 (0.43) RUNX1GPR3SCN5ACA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4472963-A1 DGK TARGETING COMPOUNDS AND USES THEREOF Arvinas Operations, Inc. (US) 2024-12-11 EP disclosed
CN-118946556-A DGK targeting compounds and uses thereof 阿维纳斯运营公司 2024-11-12 CN disclosed
WO-2023150186-A1 DGK TARGETING COMPOUNDS AND USES THEREOF ARVINAS OPERATIONS, INC. (US) 2023-08-10 WO disclosed
WO-2023150186-A1 DGK TARGETING COMPOUNDS AND USES THEREOF ARVINAS OPERATIONS, INC. (US) 2023-08-10 WO disclosed
EP-3052484-B1 SULFONYLINDOLE DERIVATIVES AND METHOD FOR PREPARING THE SAME DAE WOONG PHARMA (KR) 2018-03-21 EP disclosed
US-9676714-B2 Sulfonylindole derivatives and method for preparing the same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2017-06-13 US disclosed
EP-3052484-A1 SULFONYLINDOLE DERIVATIVES AND METHOD FOR PREPARING THE SAME Daewoong Pharmaceutical Co., Ltd. (KR) 2016-08-10 EP disclosed
US-20160221946-A1 SULFONYLINDOLE DERIVATIVES AND METHOD FOR PREPARING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2016-08-04 US disclosed
WO-2015050412-A1 SULFONYLINDOLE DERIVATIVES AND METHOD FOR PREPARING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2015-04-09 WO disclosed
US-5236940-A Administering for treatment of medical conditions associated with the effects of glutamate; glutamate-induced convulsions; schizophrenia; sleep disorders RHONE-POULENC SANTE (FR) 1993-08-17 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 (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-20160221946-A1 SULFONYLINDOLE DERIVATIVES AND METHOD FOR PREPARING THE SAME GIPR, PGC, SI ALDH1A1 2153/4885CYP3A4 564/4885HSD17B10 4595/4885

“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.