SCHEMBL5506453

SCHEMBL5506453

CCCCCCNS(=O)(=O)c1cc(C(=O)CCC(=O)O)ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FABP4 P15090 3/20 0.49
▸ MEN1 O00255 2/20 0.48
▸ TSHR P16473 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ CA12 O43570 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ APP P05067 1/20 0.46
▸ PDK1 Q15118 2/20 0.46
▸ PDK2 Q15119 2/20 0.46
▸ PDK3 Q15120 2/20 0.46
▸ PDK4 Q16654 2/20 0.46
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ HTT P42858 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL11345142 1.00 FABP4 (0.49) FABP4MEN1TSHRKMT2ATP53
SCHEMBL11354624 0.91 CA1 (0.48) FABP4KMT2ATDP1CA12CA9
SCHEMBL11353531 0.89 MEN1 (0.46) FABP4MEN1TSHRKMT2ATP53
SCHEMBL11347459 0.89 MEN1 (0.46) FABP4MEN1TSHRKMT2ATP53
SCHEMBL11595388 0.83 GSTO1 (0.50) MEN1TSHRKMT2ATP53CYP1A2
SCHEMBL11595503 0.82 POLB (0.56) KMT2ACYP1A2CYP3A4CYP2C19TDP1
SCHEMBL11527984 0.81 GAA (0.47) MEN1TSHRKMT2ATP53CYP1A2
SCHEMBL5504049 0.81 CA1 (0.48) KMT2ATDP1CA1CA2HTT
SCHEMBL11384157 0.81 MAPT (0.52) FABP4TP53TDP1CA1CA2
SCHEMBL5511176 0.80 GSTO1 (0.51) MEN1KMT2ACA1CA2HTT

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
CN-101146770-A 2-phenyl indoles as prostaglandin D2 receptor antagonists AVENTIS PHARMA INC (US) 2008-03-19 — — CN disclosed
US-20070265278-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 — — US disclosed
EP-1844011-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS Aventis Pharmaceuticals Inc. (US) 2007-10-17 — — EP disclosed
WO-2006081343-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2006-08-03 — — WO disclosed
EP-0001051-B1 DERIVATIVES OF BENZENESULFONAMIDE, METHOD FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1981-02-11 — — EP disclosed
US-4235918-A SALIDIURETICS, TREATMENT OF HYPERTONIC CONDITIONS HOECHST AKTIENGESELLSCHAFT (DE) 1980-11-25 — — US disclosed
EP-0001051-A2 Derivatives of benzenesulfonamide, method for their preparation and pharmaceutical compositions containing them HOECHST AKTIENGESELLSCHAFT (DE) 1979-03-21 — — EP 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-20070265278-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS PTGDR2, PTGDR, CYSLTR2 FABP4 4591/4885MEN1 4654/4885TSHR 581/4885

“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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