SCHEMBL351263

SCHEMBL351263

NC(=O)C(C(=O)O)c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.48
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
EPHX1 P07099 1/20 0.44
KCNN4 O15554 3/20 0.42
ALDH1A1 P00352 1/20 0.42
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39

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
SCHEMBL306474 0.89 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3710055 0.89 SRC (0.61) SRCHDAC3HDAC4HDAC1HDAC7
SCHEMBL11215744 0.81 SRC (0.46) SRCHDAC3HDAC4HDAC1HDAC7
SCHEMBL7821350 0.81 SRC (0.46) SRCHDAC3HDAC4HDAC1HDAC7
SCHEMBL8126795 0.80 SRC (0.50) SRCALDH1A1IDO1TDO2
SCHEMBL1581315 0.79 SRC (0.76) SRCEPHX1CES2CES1
SCHEMBL351950 0.78 KMT2A (0.51) SRCEPHX1CES2CES1
SCHEMBL11217394 0.78 SRC (0.48) SRCEPHX1ALDH1A1
SCHEMBL351424 0.78 CYP2C9 (0.49) SRCHDAC4HDAC7HDAC5
SCHEMBL11212242 0.78 LMNA (0.50) SRCALDH1A1CES2CES1

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-20120015976-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANK TER HAFTUNG (DE) 2012-01-19 US disclosed
US-4329454-A Cephalosporin compounds ELI LILLY AND COMPANY (US) 1982-05-11 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-20120015976-A1 AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, LPCAT1 SRC 4237/4885HDAC3 3684/4885HDAC4 1934/4885

“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.