SCHEMBL4905699

SCHEMBL4905699

CS(=O)(=O)c1cc(-c2ccc(-c3cc(C(F)(F)F)c(C#N)c(=O)n3Cc3ccccc3F)s2)cc(S(C)(=O)=O)c1

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.75
NR1H2 P55055 6/20 0.75
NR1H3 Q13133 6/20 0.75
ALDH1A1 P00352 5/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 3/20 0.36
MAPT P10636 2/20 0.36
FLT3 P36888 1/20 0.35
PKM P14618 2/20 0.35
PKLR P30613 1/20 0.35
AR P10275 2/20 0.34
PGR P06401 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
AVPR2 P30518 1/20 0.33
AVPR1A P37288 1/20 0.33

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
SCHEMBL2391019 0.94 NR1H2 (0.85) RXRANR1H2NR1H3ALDH1A1POLB
SCHEMBL2391065 0.93 RXRA (0.75) RXRANR1H2NR1H3ALDH1A1POLB
SCHEMBL14184072 0.93 RXRA (0.68) RXRANR1H2NR1H3ALDH1A1POLB
SCHEMBL2389375 0.91 RXRA (0.88) RXRANR1H2NR1H3ALDH1A1POLB
SCHEMBL4905502 0.91 RXRA (0.67) RXRANR1H2NR1H3ALDH1A1POLB
SCHEMBL2388491 0.88 NR1H2 (0.73) RXRANR1H2NR1H3ALDH1A1POLB
SCHEMBL2387540 0.88 RXRA (0.63) RXRANR1H2NR1H3ALDH1A1POLB
SCHEMBL2388245 0.87 NR1H2 (0.73) RXRANR1H2NR1H3ALDH1A1POLB
SCHEMBL4896223 0.86 RXRA (0.82) RXRANR1H2NR1H3ALDH1A1POLB
SCHEMBL2390377 0.86 NR1H2 (1.00) RXRANR1H2NR1H3ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119488-A1 Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2008-05-22 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-20080119488-A1 Modulators Of Nuclear Receptors NR1H2, NR0B1, NR1H3 RXRA 20/4885NR1H2 1/4885NR1H3 3/4885

“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.