SCHEMBL17666341

SCHEMBL17666341

COC(=O)Nc1ccc(C)c(F)c1C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.53
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
PKM P14618 3/20 0.51
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.39
GFER P55789 1/20 0.39
HTT P42858 3/20 0.39
MAPK1 P28482 1/20 0.38
NLRP3 Q96P20 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
EGFR P00533 4/20 0.37
KDR P35968 4/20 0.37
KDM4C Q9H3R0 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
SCHEMBL15233267 0.87 HPGD (0.55) HPGDMEN1KMT2APKMMAPT
SCHEMBL8103972 0.83 HPGD (0.58) HPGDMEN1KMT2APKMMAPT
SCHEMBL16983115 0.83 HPGD (0.50) HPGDMEN1KMT2APKMMAPT
SCHEMBL13944693 0.83 HPGD (0.50) HPGDMEN1KMT2APKMMAPT
SCHEMBL15594102 0.81 ALDH1A1 (0.50) HPGDMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4821320 0.79 HPGD (0.49) HPGDMEN1KMT2APKMMAPT
SCHEMBL29739581 0.77 HPGD (0.51) HPGDMEN1KMT2APKMMAPT
SCHEMBL2091871 0.75 SMN1; SMN2 (0.58) HPGDSMN1; SMN2ALDH1A1NLRP3
SCHEMBL7785858 0.75 HPGD (0.57) HPGDMEN1KMT2APKMMAPT
SCHEMBL1952694 0.74 NLRP3 (0.62) HPGDMAPTALDH1A1HTTNLRP3

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-20170002006-A1 MACROCYCLES WITH HETROCYCLIC P2' GROUPS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-01-05 US disclosed
US-20160096839-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2016-04-07 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-20170002006-A1 MACROCYCLES WITH HETROCYCLIC P2' GROUPS AS FACTOR XIA INHIBITORS TFPI2, F2, TFPI HPGD 1187/4885MEN1 819/4885KMT2A 2075/4885
US-20160096839-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F2 HPGD 846/4885MEN1 869/4885KMT2A 1129/4885

“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.