SCHEMBL19320362

SCHEMBL19320362

Cc1ccc(S(=O)(=O)n2c(C)c(Br)c3cncnc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.45
LATS1 O95835 1/20 0.39
PKM P14618 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
ALDH3A1 P30838 2/20 0.37
NOD1 Q9Y239 2/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
GBA1 P04062 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 4/20 0.36
TSHR P16473 3/20 0.36
CXCL8 P10145 1/20 0.36
NOD2 Q9HC29 1/20 0.36
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL29604690 0.83 PTGDR2 (0.46) PTGDR2LATS1PKML3MBTL1ALDH3A1
SCHEMBL29604855 0.80 PTGDR2 (0.63) PTGDR2LATS1L3MBTL1
SCHEMBL20576441 0.80 PTGDR2 (0.63) PTGDR2LATS1L3MBTL1
SCHEMBL19320363 0.77 PTGDR2 (0.39) PTGDR2LATS1PKML3MBTL1ALDH3A1
SCHEMBL5074943 0.76 CA1 (0.48) PKML3MBTL1ALDH3A1NOD1POLB
SCHEMBL25240571 0.72 PTGDR2 (0.46) PTGDR2LATS1PKML3MBTL1ALDH3A1
SCHEMBL7513541 0.72 PTGDR2 (0.43) PTGDR2LATS1PKML3MBTL1ALDH3A1
SCHEMBL14439418 0.71 NOD1 (0.40) PTGDR2PKML3MBTL1ALDH3A1NOD1
SCHEMBL13834845 0.71 BRD4 (0.45) PKML3MBTL1ALDH3A1NOD1POLB
SCHEMBL15635129 0.70 PTGDR2 (0.64) PTGDR2LATS1CYP2C19

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-9932346-B2 Pyrrolopyrimidines for use in influenza virus infection JANSSEN SCIENCES IRELAND UC (IE) 2018-04-03 US disclosed
US-20170253600-A1 PYRROLOPYRIMIDINES FOR USE IN INFLUENZA VIRUS INFECTION JANSSEN INFECTIOUS DISEASES BVBA (BE) 2017-09-07 US disclosed
US-20170253600-A1 PYRROLOPYRIMIDINES FOR USE IN INFLUENZA VIRUS INFECTION JANSSEN INFECTIOUS DISEASES BVBA (BE) 2017-09-07 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-20170253600-A1 PYRROLOPYRIMIDINES FOR USE IN INFLUENZA VIRUS INFECTION IMPDH1, IMPDH2, TYMP PTGDR2 1734/4885LATS1 2332/4885PKM 409/4885

“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.