SCHEMBL20526580

SCHEMBL20526580

O=S(=O)(Nc1ccccc1C1CCC1)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.50
PTGS2 P35354 12/20 0.44
PTGS1 P23219 12/20 0.44
CA1 P00915 1/20 0.37
SLC22A12 Q96S37 1/20 0.36

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
SCHEMBL28457565 0.73 PTGS1 (0.61) PTGS2PTGS1SLC22A12
SCHEMBL9502701 0.73 HSP90AA1 (0.51) CA2PTGS2PTGS1CA1
SCHEMBL9177848 0.72 PTGS2 (0.44) PTGS2
SCHEMBL9501613 0.72 HSP90AA1 (0.53) CA2PTGS2PTGS1CA1
SCHEMBL29195988 0.72 HSD17B10 (0.40) CA2PTGS2CA1
SCHEMBL12054691 0.71 CA2 (0.66) CA2PTGS2PTGS1CA1
SCHEMBL10622905 0.71 CA2 (0.61) CA2PTGS2PTGS1CA1SLC22A12
SCHEMBL9501563 0.71 MRGPRX1 (0.49) CA2PTGS2PTGS1SLC22A12
SCHEMBL16538148 0.69 CA2 (0.64) CA2PTGS2PTGS1CA1SLC22A12
SCHEMBL9183407 0.69 CA2 (0.59) CA2PTGS2PTGS1CA1SLC22A12

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
US-10172856-B2 2,4-diaminopyrimidine derivatives as histamine H4 modulators JANSSEN PHARMACEUTICA NV (BE) 2019-01-08 US disclosed
WO-2018187652-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES AS HISTAMINE H4 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-10-11 WO disclosed
US-20180289706-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES AS HISTAMINE H4 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-10-11 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-10172856-B2 2,4-diaminopyrimidine derivatives as histamine H4 modulators HRH4, HRH3, HRH2 CA2 1033/4885PTGS2 975/4885PTGS1 1457/4885
US-20180289706-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES AS HISTAMINE H4 MODULATORS HRH4, HRH3, HRH2 CA2 1033/4885PTGS2 975/4885PTGS1 1457/4885

“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.