SCHEMBL19522397

SCHEMBL19522397

O=C(O)CCc1cc(Cl)ccc1OC(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MAPT P10636 3/20 0.49
POLB P06746 2/20 0.49
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
TSHR P16473 2/20 0.47
FFAR1 O14842 1/20 0.47
PTGDR Q13258 1/20 0.47
MEN1 O00255 3/20 0.46
HSD17B10 Q99714 1/20 0.46
PPARG P37231 4/20 0.43
PPARA Q07869 4/20 0.43
PPARD Q03181 1/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
PLA2G1B P04054 1/20 0.42

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
SCHEMBL20303591 0.81 KMT2A (0.47) KMT2AMAPTPOLBLMNAL3MBTL1
SCHEMBL20303444 0.81 KMT2A (0.46) KMT2AMAPTPOLBLMNAL3MBTL1
SCHEMBL7433243 0.80 FFAR1 (0.50) KMT2AMAPTPOLBLMNAFFAR1
SCHEMBL22602200 0.78 KMT2A (0.54) KMT2AMAPTPOLBLMNAL3MBTL1
SCHEMBL32689796 0.78 PTGDR (0.59) MAPTFFAR1PTGDRTDP1CHRM1
SCHEMBL14873778 0.78 TSHR (0.51) KMT2AMAPTPOLBLMNAL3MBTL1
SCHEMBL16954085 0.78 MAPT (0.53) KMT2AMAPTPOLBLMNAL3MBTL1
SCHEMBL14430375 0.76 FFAR1 (0.54) MAPTPOLBFFAR1FFAR4
SCHEMBL14691267 0.76 KMT2A (0.43) KMT2AMAPTPOLBLMNAL3MBTL1
SCHEMBL20873599 0.75 HSD17B10 (0.48) KMT2AMAPTPOLBLMNAL3MBTL1

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-20180022753-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-01-25 US disclosed
US-9802939-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-31 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-20180022753-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 KMT2A 1111/4885MAPT 326/4885POLB 4561/4885

“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.