SCHEMBL2300795

SCHEMBL2300795

CC(C)c1ccc(-n2ncc(C(=O)O)c2C(F)(F)F)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.70
POLB P06746 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 1/20 0.52
KEAP1 Q14145 5/20 0.50
NFE2L2 Q16236 5/20 0.50
HSD11B1 P28845 1/20 0.47
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
CRHBP P24387 1/20 0.47
MC4R P32245 1/20 0.47
CRHR2 Q13324 1/20 0.47
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
TRPC3 Q13507 2/20 0.46
TRPC1 P48995 1/20 0.46
STIM1 Q13586 1/20 0.46
ORAI1 Q96D31 1/20 0.46
ATM Q13315 1/20 0.44

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
SCHEMBL2852811 0.85 MAPT (0.76) MAPTPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL2300568 0.85 MAPT (0.76) MAPTPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL2064195 0.85 MAPT (0.76) MAPTPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL1064768 0.83 MAPT (0.78) MAPTPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL22209242 0.83 MAPT (0.78) MAPTPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL2300679 0.83 MAPT (0.78) MAPTPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL2856265 0.83 MAPT (0.78) MAPTPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL595690 0.83 MAPT (1.00) MAPTPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL24303272 0.82 MAPT (0.76) MAPTPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL2298403 0.81 MAPT (0.70) MAPTPOLBSMN1; SMN2KDM4EALDH1A1

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 MAPT 4760/4885POLB 3979/4885SMN1; 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.