SCHEMBL4832492

SCHEMBL4832492

CC(C)NC(=O)c1csc(C2CCN(C(=O)OC(C)(C)C)C(c3ccno3)C2c2ccc(F)cc2)n1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.35
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
TRPV1 Q8NER1 4/20 0.33
PPARG P37231 1/20 0.32
NR1I2 O75469 4/20 0.32
JAK2 O60674 1/20 0.32
JAK3 P52333 1/20 0.32
PTK2 Q05397 1/20 0.32
ENPP2 Q13822 2/20 0.32
UCHL1 P09936 1/20 0.31
USP30 Q70CQ3 1/20 0.31
GRM5 P41594 1/20 0.31

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
SCHEMBL4762511 0.87 TACR1 (0.35) TACR1NR1I2JAK2JAK3PTK2
SCHEMBL4761317 0.87 NR1H2 (0.46) TACR1NR1H2NR1H3ENPP2GRM5
SCHEMBL6004030 0.83 TACR1 (0.34) TACR1JAK2JAK3PTK2
SCHEMBL4827697 0.77 TACR1 (0.37) TACR1NR1I2JAK2JAK3PTK2
SCHEMBL4814466 0.75 MEN1 (0.34) TACR1NR1H2NR1H3JAK2JAK3
SCHEMBL6004610 0.74 TACR1 (0.36) TACR1NR1H2NR1H3TRPV1
SCHEMBL4832476 0.73 USP30 (0.40) TACR1JAK2JAK3PTK2ENPP2
SCHEMBL6002684 0.73 TACR1 (0.36) TACR1NR1H2NR1H3TRPV1PPARG
SCHEMBL6004607 0.72 ENPP2 (0.38) TACR1JAK2ENPP2USP30
SCHEMBL6005121 0.71 TACR1 (0.35) TACR1JAK2JAK3PTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871770-A1 ORTHO-TERPHENYL INHIBITORS OF P38 KINASE AND METHODS OF TREATING INFLAMMATORY DISORDERS Kalypsys, Inc. (US) 2008-01-02 EP disclosed
US-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders KALYPSYS, INC. 2006-11-09 US disclosed
WO-2006116355-A1 ORTHO-TERPHENYL INHIBITORS OF P38 KINASE AND METHODS OF TREATING INFLAMMATORY DISORDERS KALYPSYS, INC. (US) 2006-11-02 WO 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-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders MAPK1, MAP3K1, MAPK4 TACR1 3601/4885NR1H2 744/4885NR1H3 723/4885

“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.