SCHEMBL2629469

SCHEMBL2629469

CC(C)S(=O)(=O)c1cccc(Cl)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCOLN3 Q8TDD5 1/20 0.49
TSHR P16473 1/20 0.47
CXCR2 P25025 1/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 1/20 0.43
HSD11B1 P28845 1/20 0.43
PTGES2 Q9H7Z7 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
NFKB1 P19838 1/20 0.42
PNMT P11086 1/20 0.42
AKR1B1 P15121 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
CCR4 P51679 4/20 0.40
NR3C1 P04150 1/20 0.40
PGR P06401 1/20 0.40

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
SCHEMBL29707953 0.83 HSD11B1 (0.46) MCOLN3TSHRKMT2AHSD11B1ALDH1A1
SCHEMBL8766413 0.83 HSD11B1 (0.46) MCOLN3TSHRKMT2AHSD11B1ALDH1A1
SCHEMBL14519872 0.82 HSD11B1 (0.46) MCOLN3CXCR2HSD11B1ALDH1A1CCR4
SCHEMBL14519917 0.77 CXCR2 (0.50) CXCR2KMT2AHSD11B1CYP1A2CYP3A4
SCHEMBL2633428 0.77 MCOLN3 (0.53) MCOLN3TSHRLMNAKMT2AHSD11B1
SCHEMBL1248188 0.76 AKR1B1 (0.56) MCOLN3TSHRLMNAKMT2AHSD11B1
SCHEMBL4031288 0.76 NR3C1 (0.52) MCOLN3TSHRLMNAPTGES2ALDH1A1
SCHEMBL2049683 0.74 TSHR (0.53) MCOLN3TSHRLMNAKMT2AHSD11B1
SCHEMBL29519135 0.74 TSHR (0.53) MCOLN3TSHRLMNAKMT2APTGES2
SCHEMBL18457 0.74 TSHR (0.53) MCOLN3TSHRLMNAKMT2APTGES2

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-8158628-B2 Sulfonylated 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine compounds and their use as pharmaceuticals GRUENENTHAL GMBH (DE) 2012-04-17 US disclosed
US-20100234387-A1 Sulfonylated Tetrahydroazolopyrazines and their Use as Pharmaceuticals GRUENETHAL GMBH (DE) 2010-09-16 US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 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-20100234387-A1 Sulfonylated Tetrahydroazolopyrazines and their Use as Pharmaceuticals BDKRB1, BDKRB2, KCNB1 MCOLN3 2894/4885TSHR 276/4885CXCR2 710/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 MCOLN3 2167/4885TSHR 1602/4885CXCR2 2589/4885

“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.