SCHEMBL695916

SCHEMBL695916

COC(=O)c1cc(Oc2ccccc2)ccc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.48
TDP1 Q9NUW8 1/20 0.46
NOTUM Q6P988 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
MGLL Q99685 1/20 0.43
CFTR P13569 2/20 0.43
MAPT P10636 1/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
POLB P06746 2/20 0.42
ALDH1A1 P00352 1/20 0.42
PGR P06401 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
SCHEMBL696042 0.89 XDH (0.48) XDHTDP1NOTUMHPGDSMN1; SMN2
SCHEMBL694237 0.85 POLB (0.53) PDK2KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL30938349 0.83 KDM4E (0.59) NOTUMSMN1; SMN2CFTRMAPTKDM4E
SCHEMBL7765911 0.82 XDH (0.55) XDHTDP1HPGDSMN1; SMN2MAPT
SCHEMBL15028056 0.79 NR1H4 (0.53) XDHTDP1HPGDSMN1; SMN2KDM4E
SCHEMBL22441920 0.79 POLB (0.60) XDHTDP1HPGDSMN1; SMN2KDM4E
SCHEMBL22441922 0.79 POLB (0.60) XDHTDP1HPGDSMN1; SMN2KDM4E
SCHEMBL8844738 0.79 CA12 (0.57) XDHTDP1HPGDSMN1; SMN2MAPT
SCHEMBL22447135 0.78 XDH (0.51) XDHTDP1HPGDSMN1; SMN2KDM4E
SCHEMBL2723179 0.78 ALDH1A1 (0.57) XDHTDP1HPGDSMN1; SMN2CFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399436-B2 N-pyrazolyl carboxamides as CRAC channel inhibitors GLAXO GROUP LIMITED (GB) 2013-03-19 US disclosed
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-01 US disclosed
EP-2421835-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INHIBITORS Glaxo Group Limited (GB) 2012-02-29 EP disclosed
WO-2010122089-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INHIBITORS GLAXO GROUP LIMITED (GB) 2010-10-28 WO disclosed
US-20100273744-A1 COMPOUNDS GORE PAUL MARTIN 2010-10-28 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-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS ORAI1, TRPV1, CACNA1E XDH 3403/4885TDP1 3742/4885NOTUM 1763/4885
US-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 XDH 976/4885TDP1 4000/4885NOTUM 381/4885

“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.