SCHEMBL20526669

SCHEMBL20526669

Nc1ccc(S(=O)(=O)C(F)F)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.61
CA2 P00918 7/20 0.61
CA9 Q16790 7/20 0.61
CA12 O43570 3/20 0.61
CA4 P22748 3/20 0.61
CA6 P23280 3/20 0.61
CA5A P35218 3/20 0.61
CA7 P43166 3/20 0.61
CA14 Q9ULX7 3/20 0.61
CA5B Q9Y2D0 3/20 0.61
CYP3A4 P08684 4/20 0.47
TSHR P16473 3/20 0.47
ALDH1A1 P00352 3/20 0.47
THRB P10828 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
CASP1 P29466 1/20 0.47
RECQL P46063 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPK1 P28482 1/20 0.41

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
SCHEMBL5738131 0.79 CA1 (0.68) CA1CA2CA9CA12CA4
SCHEMBL435704 0.78 CA1 (0.73) CA1CA2CA9CA12CA4
SCHEMBL29906360 0.76 CA1 (1.00) CA1CA2CA9CA12CA4
SCHEMBL248783 0.76 CA1 (1.00) CA1CA2CA9CA12CA4
SCHEMBL8496857 0.76 CA1 (0.70) CA1CA2CA9CA12CA4
SCHEMBL10507119 0.76 CA2 (0.54) CA1CA2CA9CA12CA4
SCHEMBL20526798 0.75 HRH4 (0.50) CA1CA2CA9CA12CA4
SCHEMBL303829 0.75 CA1 (0.68) CA1CA2CA9CA12CA4
SCHEMBL31208448 0.75 CA1 (0.68) CA1CA2CA9CA12CA4
SCHEMBL10079415 0.75 CA1 (0.68) CA1CA2CA9CA12CA4

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
US-20180289706-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES AS HISTAMINE H4 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-10-11 US disclosed
WO-2018187652-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES AS HISTAMINE H4 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-10-11 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 (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 CA1 2708/4885CA2 1033/4885CA9 4046/4885
US-20180289706-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES AS HISTAMINE H4 MODULATORS HRH4, HRH3, HRH2 CA1 2708/4885CA2 1033/4885CA9 4046/4885

“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.