SCHEMBL3901040

SCHEMBL3901040

COC(=O)c1ccc(C(F)(F)F)c(OCc2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.60
RXRA P19793 2/20 0.59
RXRB P28702 2/20 0.59
RXRG P48443 2/20 0.59
HPGD P15428 2/20 0.54
LMNA P02545 2/20 0.54
NOTUM Q6P988 1/20 0.53
SMPD1 P17405 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
MAPT P10636 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL3901919 0.90 MRGPRX4 (0.69) MRGPRX4RXRARXRBRXRGHPGD
SCHEMBL849231 0.87 RXRA (0.72) MRGPRX4RXRARXRBRXRG
SCHEMBL3245222 0.84 SMPD1 (0.67) MRGPRX4RXRAHPGDLMNASMPD1
SCHEMBL5805287 0.83 HPGD (0.58) RXRAHPGDLMNASMPD1HDAC1
SCHEMBL3721195 0.83 HPGD (0.58) MRGPRX4RXRAHPGDLMNASMPD1
SCHEMBL1763430 0.82 MRGPRX4 (0.52) MRGPRX4RXRARXRBRXRGHPGD
SCHEMBL16929834 0.81 LMNA (0.59) MRGPRX4RXRARXRBRXRGHPGD
SCHEMBL21588079 0.81 HPGD (0.68) RXRAHPGDLMNASMPD1HDAC1
SCHEMBL31241237 0.81 LMNA (0.59) MRGPRX4RXRARXRBRXRGHPGD
SCHEMBL2188210 0.81 SMPD1 (0.76) MRGPRX4RXRAHPGDLMNASMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112601752-A Novel inhibitors of MAP4K1 伊克诺斯科学公司 2021-04-02 CN disclosed
EP-3630778-A1 NOVEL INHIBITORS OF MAP4K1 Ichnos Sciences SA (CH) 2020-04-08 EP disclosed
WO-2018215668-A1 NOVEL INHIBITORS OF MAP4K1 GLENMARK PHARMACEUTICALS S.A. (CH) 2018-11-29 WO disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 EP disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 EP 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-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE S1PR3, S1PR2, S1PR1 MRGPRX4 86/4885RXRA 1301/4885RXRB 1726/4885

“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.