SCHEMBL2831995

SCHEMBL2831995

COc1cc(C)c(S(=O)(=O)N2CCCC(Oc3nccc(Cl)n3)C2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
MAPT P10636 3/20 0.37
PROKR1 Q8TCW9 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
POLB P06746 1/20 0.37
FPR2 P25090 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 2/20 0.36
CYP19A1 P11511 1/20 0.36
NPC1 O15118 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL2834671 0.90 FPR2 (0.36) SMN1; SMN2PKMPROKR1FPR2
SCHEMBL2834917 0.86 LMNA (0.41) LMNASMN1; SMN2PKMTSHRMAPK1
SCHEMBL2839972 0.80 CYP2D6 (0.39) LMNASMN1; SMN2TSHRMAPK1MAPT
SCHEMBL2839410 0.80 ACACB (0.37) LMNAMAPTPROKR1POLBFPR2
SCHEMBL2833006 0.79 KMT2A (0.37) LMNASMN1; SMN2TSHRMAPK1MAPT
SCHEMBL2834771 0.78 LMNA (0.35) LMNAMAPTPROKR1ALDH1A1POLB
SCHEMBL2830422 0.77 CASP3 (0.40) NPC1
SCHEMBL2830420 0.77 CASP3 (0.40) NPC1
SCHEMBL2836075 0.75 NAAA (0.39) SMN1; SMN2PKMPROKR1FPR2
SCHEMBL2831492 0.75 PSEN1 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2356101-B1 PYRIMIDINE- AND TRIAZINE-SULFONAMIDE DERIVATIVES AS BRADYKININ B1 RECEPTOR (B1R) INHIBITORS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2013-02-27 EP disclosed
US-8269000-B2 Substituted pyrimidine and triazine compounds GRUENENTHAL GMBH (DE) 2012-09-18 US disclosed
US-8269000-B2 Substituted pyrimidine and triazine compounds GRUENENTHAL GMBH (DE) 2012-09-18 US disclosed
US-8269000-B2 Substituted pyrimidine and triazine compounds GRUENENTHAL GMBH (DE) 2012-09-18 US disclosed
US-20100173889-A1 Substituted Pyrimidine and Triazine Compounds GRUENENTHAL GMBH (DE) 2010-07-08 US disclosed
US-20100173889-A1 Substituted Pyrimidine and Triazine Compounds GRUENENTHAL GMBH (DE) 2010-07-08 US disclosed
US-20100173889-A1 Substituted Pyrimidine and Triazine Compounds GRUENENTHAL GMBH (DE) 2010-07-08 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-20100173889-A1 Substituted Pyrimidine and Triazine Compounds ADORA2B, CCNB1, TYMS LMNA 3222/4885SMN1; SMN2 2081/4885PKM 3918/4885

“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.