SCHEMBL12385692

SCHEMBL12385692

O=C(O)c1cnn(-c2ccc(CO)cc2)c1C(F)(F)F

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.72
POLB P06746 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 2/20 0.56
KEAP1 Q14145 5/20 0.48
NFE2L2 Q16236 5/20 0.48
HSD11B1 P28845 1/20 0.48
RAB9A P51151 3/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
NPC1 O15118 2/20 0.45
TRPC3 Q13507 2/20 0.43
TRPC1 P48995 1/20 0.43
STIM1 Q13586 1/20 0.43
ORAI1 Q96D31 1/20 0.43
STIM2 Q9P246 1/20 0.43
LMNA P02545 1/20 0.43
NR4A3 Q92570 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
SCHEMBL1064768 0.84 MAPT (0.78) MAPTPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL2300679 0.84 MAPT (0.78) MAPTPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL22209242 0.84 MAPT (0.78) MAPTPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL2856265 0.84 MAPT (0.78) MAPTPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL595690 0.84 MAPT (1.00) MAPTPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL24303272 0.83 MAPT (0.76) MAPTPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL2852811 0.83 MAPT (0.76) MAPTPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL2064195 0.83 MAPT (0.76) MAPTPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL2300568 0.83 MAPT (0.76) MAPTPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL21604946 0.81 MAPT (0.78) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.