Sugi Predict

Sugi Predict / Compounds / SCHEMBL1748944

SCHEMBL1748944

SCHEMBL1748944

COc1cc2c(-c3cc4c(Cl)ccnc4n3S(=O)(=O)c3ccc(C)cc3)c[nH]c2cc1OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSV O60911 2/20 0.40
▸ CTSL P07711 2/20 0.40
▸ PTGDR2 Q9Y5Y4 3/20 0.39
▸ OPRM1 P35372 1/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ PTGER1 P34995 4/20 0.36
▸ ELANE P08246 1/20 0.35
▸ SRD5A1 P18405 1/20 0.35
▸ SRD5A2 P31213 1/20 0.35
▸ PDE4D Q08499 2/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PSEN1 P49768 1/20 0.34
▸ PSEN2 P49810 1/20 0.34
▸ APH1B Q8WW43 1/20 0.34
▸ NCSTN Q92542 1/20 0.34
▸ APH1A Q96BI3 1/20 0.34
▸ PSENEN Q9NZ42 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL1748604 0.92 PTGDR2 (0.39) PTGDR2ALDH1A1MAPTLMNAPCSK9
SCHEMBL1780128 0.88 CCNE1 (0.41) CTSVCTSLPTGDR2OPRM1OPRD1
SCHEMBL1748701 0.88 CCNE1 (0.41) CTSVCTSLPTGDR2OPRM1OPRD1
SCHEMBL1749273 0.85 PTGDR2 (0.39) CTSVCTSLPTGDR2PTGER1ELANE
SCHEMBL1749526 0.83 EGFR (0.37) PTGDR2PDE4DPDE4APDE4BPDE4C
SCHEMBL5796339 0.82 CTSV (0.41) CTSVCTSLOPRM1OPRD1PTGER1
SCHEMBL1777928 0.81 MAPT (0.48) PTGDR2PDE4BTDP1MAPTSMN1; SMN2
SCHEMBL5794825 0.81 CTSV (0.43) CTSVCTSLOPRM1OPRD1SRD5A1
SCHEMBL5069866 0.81 CTSV (0.43) CTSVCTSLOPRM1OPRD1SRD5A1
SCHEMBL2987041 0.80 PTGDR2 (0.36) PTGDR2ALDH1A1MAPTLMNAPCSK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968566-B2 Pyrrolo(2,3-b) pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors AVENTIS PHARMA S.A. (FR) 2011-06-28 — — US disclosed
US-20090233956-A1 NOVEL PYRROLO(2,3-b) PYRIDINE DERIVATIVES, THE PREPARATION AND THE PHARMACEUTICAL USE THEREOF IN THE FORM OF KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2009-09-17 — — US disclosed
US-7528147-B2 Pyrrolo (2,3-b)pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors AVENTIS PHARMA S.A. (FR) 2009-05-05 — — US disclosed
US-20070093480-A1 Novel pyrrolo (2,3-b)pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors AVENTIS PHARMA S.A. (FR) 2007-04-26 — — 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-20090233956-A1 NOVEL PYRROLO(2,3-b) PYRIDINE DERIVATIVES, THE PREPARATION AND THE PHARMACEUTICAL USE THEREOF IN THE FORM OF KINASE INHIBITORS MAP3K19, MAP4K2, MAP3K1 CTSV 3768/4885CTSL 2680/4885PTGDR2 806/4885
US-20070093480-A1 Novel pyrrolo (2,3-b)pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors MAP3K19, MAP4K2, MAP3K1 CTSV 3768/4885CTSL 2680/4885PTGDR2 806/4885

“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.