SCHEMBL3772928

SCHEMBL3772928

Cc1cc(C)c(S(=O)(=O)N2C[C@@H]2C)c([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCOLN3 Q8TDD5 3/20 0.44
ALDH1A1 P00352 3/20 0.44
GPR35 Q9HC97 1/20 0.41
POLB P06746 2/20 0.40
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
EBP Q15125 2/20 0.38
DHCR7 Q9UBM7 2/20 0.38
ACHE P22303 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 2/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAPGEF4 Q8WZA2 1/20 0.36
GAA P10253 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
SCHEMBL3772930 1.00 MCOLN3 (0.44) MCOLN3ALDH1A1GPR35POLBCRHBP
SCHEMBL4108812 0.84 NPSR1 (0.51) ALDH1A1NPSR1EBPDHCR7MAPT
SCHEMBL4001419 0.84 NPSR1 (0.51) ALDH1A1NPSR1EBPDHCR7MAPT
SCHEMBL3646610 0.74 GPR35 (0.48) ALDH1A1GPR35CYP3A4TSHRMAPT
SCHEMBL11683811 0.71 GPR35 (0.57) MCOLN3ALDH1A1GPR35CYP3A4TSHR
SCHEMBL6535736 0.69 GPR35 (0.59) ALDH1A1GPR35POLBCYP3A4TSHR
SCHEMBL6518952 0.69 GPR35 (0.53) MCOLN3ALDH1A1GPR35CYP3A4TSHR
SCHEMBL3215402 0.68 GAA (0.45) ALDH1A1POLBNPSR1EBPDHCR7
Hydrochloric Acid SCHEMBL27560354 0.67 GPR35 (0.57) ALDH1A1GPR35POLBCYP3A4TSHR
SCHEMBL7122701 0.67 ACHE (0.65) ALDH1A1ACHELMNAMAPTL3MBTL1

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-20100317863-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-16 US disclosed
US-20100317863-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-16 US disclosed
WO-2009015067-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-29 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 (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-20100317863-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof NR3C1, MC2R, NR3C2 MCOLN3 1695/4885ALDH1A1 4038/4885GPR35 192/4885

“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.