SCHEMBL1258044

SCHEMBL1258044

Cc1ccc(S(=O)(=O)/N=c2/ccc(Oc3ccc(N(Cc4ccccc4)C(=O)O)cc3F)cn2CC(N)=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ PTGES O14684 1/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KEAP1 Q14145 1/20 0.34
▸ NFE2L2 Q16236 1/20 0.34
▸ APAF1 O14727 1/20 0.33
▸ STAT5B P51692 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ STAT3 P40763 1/20 0.33

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
SCHEMBL1258045 1.00 NR3C1 (0.37) NR3C1TP53PTGESALOX5ALDH1A1
SCHEMBL1258095 0.89 NR3C1 (0.46) NR3C1PTGESALOX5ALDH1A1LMNA
SCHEMBL1258097 0.89 NR3C1 (0.46) NR3C1PTGESALOX5ALDH1A1LMNA
SCHEMBL1259837 0.88 NR3C1 (0.36) NR3C1TP53PTGESALOX5ALDH1A1
SCHEMBL1259841 0.88 NR3C1 (0.36) NR3C1TP53PTGESALOX5ALDH1A1
SCHEMBL14949654 0.82 POLB (0.42) TP53ALDH1A1KMT2A
SCHEMBL14949653 0.82 POLB (0.42) TP53ALDH1A1KMT2A
SCHEMBL13623158 0.75 MGAT2 (0.38) TP53LMNAKMT2ARAB9A
SCHEMBL14949660 0.75 POLB (0.39) KMT2A
SCHEMBL14949661 0.75 POLB (0.39) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110046169-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-24 — — 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-20110046169-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF ABL1, MAP4K2, MAP3K20 NR3C1 1173/4885TP53 399/4885PTGES 3388/4885

“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.

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