SCHEMBL3173992

SCHEMBL3173992

O=C(O)[C@@H](NC(=O)C(F)(F)F)c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
CNR2 P34972 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PLOD2 O00469 1/20 0.39
MME P08473 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL2672091 1.00 HDAC3 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2672092 1.00 HDAC3 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3172172 0.86 FPR2 (0.47) HDAC4HDAC1HDAC7HDAC2HDAC8
SCHEMBL3172158 0.86 FPR2 (0.47) HDAC4HDAC1HDAC7HDAC2HDAC8
SCHEMBL4531134 0.86 FPR2 (0.47) HDAC4HDAC1HDAC7HDAC2HDAC8
SCHEMBL18247907 0.85 PDE2A (0.50) CNR2NPC1PDE2A
SCHEMBL7658688 0.85 KEAP1 (0.48) CNR2ALDH1A1PDE2AFOLH1
SCHEMBL7495873 0.85 CNR2 (0.40) HDAC4HDAC7HDAC5CNR2MEN1
SCHEMBL20266696 0.85 PDE2A (0.50) CNR2NPC1PDE2A
SCHEMBL4076538 0.82 PDE2A (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7648988-B2 Substituted pteridines for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2010-01-19 US disclosed
US-20080153833-A1 Substituted pteridines for the treatment of inflammatory diseases DOLLINGER HORST 2008-06-26 US disclosed
US-20060116370-A1 Substituted pteridines for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-06-01 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 (2 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-20060116370-A1 Substituted pteridines for the treatment of inflammatory diseases LTC4S, TLR5, LTB4R2 HDAC3 2455/4885HDAC4 2887/4885HDAC1 3559/4885
US-20080153833-A1 Substituted pteridines for the treatment of inflammatory diseases LTC4S, TLR5, LTB4R2 HDAC3 2455/4885HDAC4 2887/4885HDAC1 3559/4885

“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.