Sugi Predict

Sugi Predict / Compounds / SCHEMBL2296609

SCHEMBL2296609

SCHEMBL2296609

O=C(O)c1noc(-c2ccccc2Cl)c1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DUSP3 P51452 4/20 0.43
▸ PTPN1 P18031 2/20 0.43
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ SMURF2 Q9HAU4 1/20 0.40
▸ SMURF1 Q9HCE7 1/20 0.40
▸ ALOX5 P09917 2/20 0.40
▸ ALOX5AP P20292 2/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ GPBAR1 Q8TDU6 1/20 0.38
▸ NR4A2 P43354 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CYP2C19 P33261 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
SCHEMBL17261723 0.84 SMURF1 (0.46) DUSP3PTPN1SMURF2SMURF1ALOX5
SCHEMBL1225779 0.81 PTPN1 (0.61) DUSP3PTPN1ALOX5ALOX5APMEN1
SCHEMBL1227041 0.76 DUSP3 (0.56) DUSP3PTPN1ALOX5ALOX5APNPC1
SCHEMBL404322 0.75 PTPN1 (0.43) DUSP3PTPN1HDAC1ALOX5ALOX5AP
SCHEMBL1225753 0.71 PTPN1 (0.51) DUSP3PTPN1MEN1KMT2AALDH1A1
SCHEMBL30395754 0.70 KMT2A (0.49) MEN1KMT2AALDH1A1NPSR1GPBAR1
SCHEMBL12543516 0.70 KMT2A (0.49) MEN1KMT2AALDH1A1NPSR1GPBAR1
SCHEMBL2569262 0.70 PTPN1 (0.58) DUSP3PTPN1ALOX5ALOX5APMEN1
SCHEMBL9871836 0.70 IKBKB (0.47) DUSP3PTPN1ALOX5ALOX5APMEN1
SCHEMBL2491387 0.69 IKBKB (0.53) HDAC1HDAC2HDAC8MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2462139-B1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2015-01-14 — — EP disclosed
EP-2462139-B1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2015-01-14 — — EP disclosed
US-8399451-B2 Heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-19 — — US disclosed
US-8399451-B2 Heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-19 — — US disclosed
US-8399451-B2 Heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-19 — — US disclosed
US-20110190255-A1 HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2011-08-04 — — US disclosed
US-20110190255-A1 HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2011-08-04 — — US disclosed
US-20110190255-A1 HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2011-08-04 — — US disclosed
WO-2011017578-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-10 — — 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-20110190255-A1 HETEROCYCLIC COMPOUNDS S1PR1, S1PR3, S1PR5 DUSP3 2904/4885PTPN1 698/4885HDAC1 799/4885

“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.