Sugi Predict

Sugi Predict / Compounds / SCHEMBL2294536

SCHEMBL2294536

SCHEMBL2294536

O=C(O)c1cnn(-c2ccc(Cl)c(Cl)c2)c1C(F)(F)F

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.66
▸ POLB P06746 1/20 0.66
▸ SMN1; SMN2 Q16637 1/20 0.66
▸ MEN1 O00255 3/20 0.60
▸ KMT2A Q03164 3/20 0.60
▸ CRHBP P24387 1/20 0.60
▸ MC4R P32245 1/20 0.60
▸ CRHR2 Q13324 1/20 0.60
▸ KEAP1 Q14145 5/20 0.53
▸ NFE2L2 Q16236 5/20 0.53
▸ RAB9A P51151 3/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ CCR1 P32246 2/20 0.47
▸ HSD11B1 P28845 1/20 0.45
▸ TRPC3 Q13507 1/20 0.44
▸ NOTUM Q6P988 1/20 0.44
▸ RPA1 P27694 1/20 0.43

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
SCHEMBL2300867 0.88 MAPT (0.61) MAPTPOLBSMN1; SMN2MEN1KMT2A
SCHEMBL2064195 0.85 MAPT (0.76) MAPTPOLBSMN1; SMN2MEN1KMT2A
SCHEMBL2850399 0.84 MAPT (0.74) MAPTPOLBSMN1; SMN2MEN1KMT2A
SCHEMBL2858203 0.82 MAPT (0.68) MAPTPOLBSMN1; SMN2MEN1KMT2A
SCHEMBL21605034 0.82 MAPT (0.63) MAPTPOLBSMN1; SMN2MEN1KMT2A
SCHEMBL30147963 0.82 MAPT (0.63) MAPTPOLBSMN1; SMN2MEN1KMT2A
SCHEMBL1403581 0.81 NOTUM (0.54) MAPTPOLBSMN1; SMN2MEN1KMT2A
SCHEMBL2856265 0.80 MAPT (0.78) MAPTPOLBSMN1; SMN2MEN1KMT2A
SCHEMBL2300679 0.80 MAPT (0.78) MAPTPOLBSMN1; SMN2MEN1KMT2A
SCHEMBL22209242 0.80 MAPT (0.78) MAPTPOLBSMN1; 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 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.