SCHEMBL6004473

SCHEMBL6004473

CCNC(=O)c1csc(C2CC(c3ccn[nH]3)N(C(=O)OC(C)(C)C)CC2c2ccc(F)cc2)n1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
TACR1 P25103 4/20 0.34
ACKR3 P25106 1/20 0.33
ENPP2 Q13822 2/20 0.31
UBE2M P61081 2/20 0.30
DCUN1D1 Q96GG9 2/20 0.30
PREP P48147 1/20 0.30
FAP Q12884 1/20 0.30

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
SCHEMBL6004610 0.91 TACR1 (0.36) NR1H2NR1H3TACR1
SCHEMBL4871010 0.91 NR1H2 (0.34) NR1H2NR1H3TACR1ENPP2
SCHEMBL6004899 0.90 NR1H2 (0.36) NR1H2NR1H3TACR1ENPP2
SCHEMBL6005072 0.86 NR1H2 (0.37) NR1H2NR1H3TACR1
SCHEMBL6004017 0.77 MMP13 (0.42) NR1H2NR1H3
SCHEMBL6004214 0.71 TACR1 (0.33) NR1H2NR1H3TACR1ACKR3
SCHEMBL6004594 0.69 AADAT (0.30)
SCHEMBL6004467 0.69 TP53 (0.43) ENPP2
SCHEMBL6002684 0.69 TACR1 (0.36) NR1H2NR1H3TACR1
SCHEMBL6003957 0.67 NR1H2 (0.46) NR1H2NR1H3TACR1ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders KALYPSYS, INC. 2006-11-09 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-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders MAPK1, MAP3K1, MAPK4 NR1H2 744/4885NR1H3 723/4885TACR1 3601/4885

“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.