SCHEMBL3494879

SCHEMBL3494879

CC(=O)c1cc(F)ccc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.46
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KEAP1 Q14145 1/20 0.37
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
EPAS1 Q99814 3/20 0.36
MRGPRX1 Q96LB2 2/20 0.36
CXCR2 P25025 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL4634707 0.85 EPAS1 (0.47) HSD11B1ALDH1A1SMN1; SMN2MAPK1EPAS1
SCHEMBL3493018 0.85 HSD11B1 (0.46) HSD11B1ALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL4773217 0.84 PTGDR2 (0.55) HSD11B1ALDH1A1SMN1; SMN2POLBPTGDR2
SCHEMBL3492576 0.84 KMT2A (0.46) HSD11B1ALDH1A1HTTMEN1POLB
SCHEMBL13636835 0.84 HSD11B1 (0.48) HSD11B1ALDH1A1MEN1POLBKMT2A
SCHEMBL3491420 0.82 HSD11B1 (0.50) HSD11B1ALDH1A1HTTSMN1; SMN2POLB
SCHEMBL3493327 0.80 HSD11B1 (0.45) HSD11B1PTGDR2EPAS1
SCHEMBL5666834 0.80 CA12 (0.46) MEN1KMT2AEPAS1
SCHEMBL14270838 0.78 HSD11B1 (0.45) HSD11B1ALDH1A1HTTSMN1; SMN2PTGDR2
SCHEMBL7498254 0.78 PTGDR2 (0.49) HSD11B1ALDH1A1SMN1; SMN2PTGDR2CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115403579-A Novel spiro derivative and application thereof 上海拓界生物医药科技有限公司 2022-11-29 CN disclosed
US-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 US disclosed
US-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 US disclosed
US-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 US disclosed
EP-2123652-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-11-25 EP disclosed
EP-2123652-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-11-25 EP disclosed
US-7378427-B2 Processes for preparing 6-alkyl-5-arylsulfonyl-dihydrophenanthridines WYETH (US) 2008-05-27 US disclosed
US-7378427-B2 Processes for preparing 6-alkyl-5-arylsulfonyl-dihydrophenanthridines WYETH (US) 2008-05-27 US disclosed
CN-1968932-A Processes for preparing 6-alkyl-5-arylsulfonyl-dihydrophenanthridines WYETH CORP (US) 2007-05-23 CN disclosed
EP-1758866-A1 PROCESSES FOR PREPARING 6-ALKYL-5-ARYLSULFONYL- DIHYDROPHENANTHRIDINES Wyeth (US) 2007-03-07 EP disclosed
US-20060025436-A1 Processes for preparing 6-alkyl-5-arylsulfonyl-dihydrophenanthridines WYETH (US) 2006-02-02 US disclosed
WO-2006009831-A1 PROCESSES FOR PREPARING 6-ALKYL-5-ARYLSULFONYL- DIHYDROPHENANTHRIDINES WYETH (US) 2006-01-26 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 (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-20060025436-A1 Processes for preparing 6-alkyl-5-arylsulfonyl-dihydrophenanthridines QDPR, RPS9, RPS4Y1 HSD11B1 4301/4885ALDH1A1 1238/4885HTT 513/4885
US-20100113418-A1 HETEROCYCLIC COMPOUND ACACA, ACAT1, CPT1B HSD11B1 270/4885ALDH1A1 503/4885HTT 1125/4885

“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.