SCHEMBL1721093

SCHEMBL1721093

O=S(=O)(Nc1cc(F)cc(Oc2cccnc2)c1)c1ccccc1CO

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.67
ALPL P05186 3/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TBXAS1 P24557 1/20 0.40
ALDH1A1 P00352 3/20 0.40
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 2/20 0.39
LMNA P02545 1/20 0.39
P2RX4 Q99571 1/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 2/20 0.39
SLC22A12 Q96S37 1/20 0.39
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL1721571 0.82 FFAR4 (0.64) FFAR4ALPLMEN1KMT2AALDH1A1
SCHEMBL4276324 0.70 TAAR1 (0.64) FFAR4MEN1KMT2AALDH1A1TP53
SCHEMBL4475675 0.69 TSHR (0.59) FFAR4KMT2ATDP1LMNA
SCHEMBL4466412 0.67 CYP11B1 (0.56) FFAR4ALDH1A1TP53GAALMNA
SCHEMBL12412147 0.67 GRM5 (0.61) ALDH1A1LMNA
SCHEMBL3717535 0.66 ALDH1A1 (0.62) ALPLMEN1KMT2AALDH1A1TP53
SCHEMBL4478047 0.65 GRM5 (0.59) FFAR4KMT2AALDH1A1LMNA
SCHEMBL13606235 0.65 FFAR4 (0.56) FFAR4ALDH1A1TDP1GAALMNA
SCHEMBL17104293 0.65 FFAR4 (0.52) FFAR4GAANPC1HPGDRAB9A
SCHEMBL12412646 0.65 GRM5 (0.77) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2406248-B1 NOVEL ISOINDOLIN-1-ONE DERIVATIVE MSD KK (JP) 2013-12-25 EP disclosed
US-8362052-B2 Isoindolin-1-one derivative MSD K.K. (JP) 2013-01-29 US disclosed
EP-2406248-A1 NOVEL ISOINDOLIN-1-ONE DERIVATIVE MSD K.K. (JP) 2012-01-18 EP disclosed
US-20110312976-A1 NOVEL ISOINDOLIN-1-ONE DERIVATIVE MSD K.K. (JP) 2011-12-22 US disclosed
WO-2010104195-A1 NOVEL ISOINDOLIN-1-ONE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-09-16 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 (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-20110312976-A1 NOVEL ISOINDOLIN-1-ONE DERIVATIVE CBR3, OPRD1, CBR1 FFAR4 4244/4885ALPL 3435/4885MEN1 3744/4885

“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.