SCHEMBL2298539

SCHEMBL2298539

Cc1cc(Cl)ccc1-n1ncc(C(=O)O)c1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
MAPT P10636 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
RAB9A P51151 4/20 0.52
NPC1 O15118 3/20 0.52
CRHBP P24387 1/20 0.47
MC4R P32245 1/20 0.47
CRHR2 Q13324 1/20 0.47
KEAP1 Q14145 5/20 0.45
NFE2L2 Q16236 5/20 0.45
MYC P01106 1/20 0.44
NR4A1 P22736 1/20 0.44
SCN9A Q15858 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
ATM Q13315 1/20 0.42
MALT1 Q9UDY8 4/20 0.42
LMNA P02545 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
SCHEMBL1403024 0.89 MYC (0.45) POLBMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL2299638 0.87 SMN1; SMN2 (0.57) POLBMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL21605020 0.86 SMN1; SMN2 (0.56) POLBMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL30147748 0.86 SMN1; SMN2 (0.56) POLBMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL21604814 0.85 MAPT (0.57) POLBMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL2850449 0.85 SMN1; SMN2 (0.57) POLBMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL21605109 0.82 POLB (0.51) POLBMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL30147839 0.82 POLB (0.51) POLBMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL2296326 0.82 MAPT (0.68) POLBMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5681145 0.79 MALT1 (0.51) POLBMAPTSMN1; SMN2MEN1KMT2A

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 POLB 3979/4885MAPT 4760/4885SMN1; SMN2 1771/4885

“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.