SCHEMBL3494530

SCHEMBL3494530

CC(=O)c1ccc(Cl)cc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.45
AVPR2 P30518 2/20 0.41
GPR27 Q9NS67 2/20 0.41
FLT1 P17948 2/20 0.40
FLT4 P35916 2/20 0.40
KDR P35968 2/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CNR2 P34972 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
EPAS1 Q99814 2/20 0.37

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
SCHEMBL3492576 0.88 KMT2A (0.46) HSD11B1KMT2AMEN1CYP1A2POLB
SCHEMBL6645882 0.86 ABL1 (0.50) AVPR2GPR27FLT1FLT4KDR
SCHEMBL25839257 0.84 HSD11B1 (0.46) HSD11B1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL17888631 0.79 HSD11B1 (0.45) HSD11B1GPR27EPAS1MAPTTRPV4
SCHEMBL14270854 0.78 HSD11B1 (0.41) HSD11B1GPR27KMT2AMEN1CYP3A4
SCHEMBL14598733 0.78 HSD11B1 (0.41) HSD11B1GPR27KMT2AMEN1CYP3A4
SCHEMBL4010734 0.78 HSD11B1 (0.41) HSD11B1GPR27KMT2AMEN1CYP1A2
SCHEMBL28689289 0.78 HSD11B1 (0.41) HSD11B1
SCHEMBL8500197 0.78 EPAS1 (0.40) HSD11B1CYP2C9CNR2EPAS1TRPV4
SCHEMBL3362412 0.78 HSD11B1 (0.55) HSD11B1AVPR2GPR27FLT1FLT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20100113418-A1 HETEROCYCLIC COMPOUND ACACA, ACAT1, CPT1B HSD11B1 270/4885AVPR2 1852/4885GPR27 2003/4885

“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.