SCHEMBL2570844

SCHEMBL2570844

COC(=O)c1onc(-c2ccccc2)c1C(F)F

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 3/20 0.45
POLB P06746 1/20 0.45
GABRA5 P31644 3/20 0.44
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
PTBP1 P26599 1/20 0.43
RAB9A P51151 1/20 0.42
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL2565906 0.86 PTGS1 (0.55) PTGS1SMN1; SMN2LMNAPOLBGABRA5
SCHEMBL2568130 0.84 KMT2A (0.43) PTGS1SMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL17874015 0.81 PTGS1 (0.58) PTGS1SMN1; SMN2LMNAPOLBGABRA5
SCHEMBL2568217 0.80 PTGS1 (0.73) PTGS1SMN1; SMN2LMNAPOLBGABRA5
SCHEMBL12000493 0.80 PTGS1 (0.60) PTGS1SMN1; SMN2LMNAPOLBGABRA5
SCHEMBL2570531 0.78 PTGS1 (0.67) PTGS1SMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL1805305 0.78 PTGS1 (0.55) PTGS1SMN1; SMN2LMNAPOLBGABRA5
SCHEMBL13285289 0.77 PTGS1 (0.45) PTGS1SMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL2565828 0.76 PTGS1 (0.56) PTGS1SMN1; SMN2LMNAPOLBGABRA5
SCHEMBL2565750 0.76 PTGS1 (0.68) PTGS1SMN1; SMN2LMNAPOLBGABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354398-B2 Substituted isoxazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-15 US disclosed
US-8354398-B2 Substituted isoxazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-15 US disclosed
US-20110300165-A1 SUBSTITUTED ISOXAZOLE COMPOUNDS The Board of TRustees of the University of Illinoi University of Illinios (US) 2011-12-08 US disclosed
US-20110300165-A1 SUBSTITUTED ISOXAZOLE COMPOUNDS The Board of TRustees of the University of Illinoi University of Illinios (US) 2011-12-08 US disclosed
US-20110300165-A1 SUBSTITUTED ISOXAZOLE COMPOUNDS The Board of TRustees of the University of Illinoi University of Illinios (US) 2011-12-08 US disclosed
EP-2382212-A1 SUBSTITUTED OXADIAZOLE DERIVATIVES AS S1P AGONISTS IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES Bristol-Myers Squibb Company (US) 2011-11-02 EP disclosed
WO-2010085581-A1 SUBSTITUTED OXADIAZOLE DERIVATIVES AS S1P AGONISTS IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-29 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-20110300165-A1 SUBSTITUTED ISOXAZOLE COMPOUNDS S1PR4, S1PR3, S1PR1 PTGS1 1441/4885SMN1; SMN2 3484/4885LMNA 3594/4885

“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.