Sugi Predict

Sugi Predict / Compounds / SCHEMBL178009

SCHEMBL178009

SCHEMBL178009

CS(=O)(=O)c1ccc(Oc2ccc(N)cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.58
▸ TDP1 Q9NUW8 2/20 0.58
▸ CYP3A4 P08684 2/20 0.58
▸ TSHR P16473 2/20 0.58
▸ HTT P42858 3/20 0.54
▸ TEAD4 Q15561 1/20 0.54
▸ PTGS2 P35354 1/20 0.54
▸ MAPT P10636 3/20 0.52
▸ POLB P06746 1/20 0.52
▸ MMP2 P08253 4/20 0.50
▸ MMP9 P14780 4/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ MAOA P21397 2/20 0.50
▸ MMP3 P08254 1/20 0.50
▸ MMP8 P22894 1/20 0.50
▸ MMP14 P50281 1/20 0.50
▸ LMNA P02545 3/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ MAPK1 P28482 1/20 0.48

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
SCHEMBL11547843 0.89 HTT (0.58) ALDH1A1TSHRHTTPTGS2MAPT
SCHEMBL17296974 0.88 PARP10 (0.54) ALDH1A1TDP1CYP3A4TSHRHTT
SCHEMBL55092 0.87 TSHR (0.62) ALDH1A1TDP1CYP3A4TSHRPTGS2
SCHEMBL5088269 0.87 ALDH1A1 (0.56) ALDH1A1CYP3A4HTTPTGS2MAPT
SCHEMBL2668246 0.86 MEN1 (0.50) ALDH1A1HTTPTGS2MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL560710 0.84 GAA (0.60) ALDH1A1TDP1CYP3A4TSHRPTGS2
SCHEMBL809616 0.83 TSHR (0.73) ALDH1A1TDP1CYP3A4TSHRHTT
SCHEMBL65653 0.83 TSHR (0.73) ALDH1A1TDP1CYP3A4TSHRHTT
SCHEMBL8941654 0.83 PTGS2 (0.56) ALDH1A1HTTPTGS2SMN1; SMN2LMNA
SCHEMBL203972 0.83 TSHR (0.73) ALDH1A1TDP1CYP3A4TSHRHTT

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 100 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889691-B2 Indole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2014-11-18 — — US disclosed
US-20140329866-A1 OMEGA-CARBOXYARL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BAYER HEALTHCARE LLC (US) 2014-11-06 — — US disclosed
US-8841330-B2 Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BAYER HEALTHCARE LLC (US) 2014-09-23 — — US disclosed
US-20140024618-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2014-01-23 — — US disclosed
US-8569307-B2 Indole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2013-10-29 — — US disclosed
EP-2178869-B1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD (KR) 2013-06-12 — — EP disclosed
US-8309586-B2 Glucokinase activators and pharmaceutical compositions containing the same as an active ingredient LG LIFE SCIENCES LTD. (KR) 2012-11-13 — — US disclosed
US-8309586-B2 Glucokinase activators and pharmaceutical compositions containing the same as an active ingredient LG LIFE SCIENCES LTD. (KR) 2012-11-13 — — US disclosed
US-8309586-B2 Glucokinase activators and pharmaceutical compositions containing the same as an active ingredient LG LIFE SCIENCES LTD. (KR) 2012-11-13 — — US disclosed
US-20120270878-A1 INHIBITION OF P38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS BAYER HEALTHERCARE LLC (US) 2012-10-25 — — US disclosed
EP-1047418-A4 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER AG (US) 2001-02-07 — — EP disclosed
EP-1049664-A1 INHIBITION OF RAF KINASE USING SYMMETRICAL AND UNSYMMETRICAL SUBSTITUTED DIPHENYL UREAS Bayer Corporation (US) 2000-11-08 — — EP disclosed
EP-1047418-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS Bayer Corporation (US) 2000-11-02 — — EP disclosed
EP-1042305-A1 INHIBITION OF p38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS Bayer Corporation (US) 2000-10-11 — — EP disclosed
EP-1041982-A1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS Bayer Corporation (US) 2000-10-11 — — EP disclosed
WO-2000041698-A1 φ-CARBOXY ARYL SUBSTITUTED DIPHENYL UREAS AS p38 KINASE INHIBITORS BAYER CORPORATION (US) 2000-07-20 — — WO disclosed
WO-1999032106-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER CORPORATION (US) 1999-07-01 — — WO disclosed
WO-1999032436-A1 INHIBITION OF RAF KINASE USING SYMMETRICAL AND UNSYMMETRICAL SUBSTITUTED DIPHENYL UREAS BAYER CORPORATION (US) 1999-07-01 — — WO disclosed
WO-1999032111-A1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER CORPORATION (US) 1999-07-01 — — WO disclosed
WO-1999032463-A1 INHIBITION OF p38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS BAYER CORPORATION (US) 1999-07-01 — — 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 (3 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-20140024618-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF ALDH1A1 2800/4885TDP1 1338/4885CYP3A4 3333/4885
US-20120270878-A1 INHIBITION OF P38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS MAP2K2, MAPK1, MAP2K1 ALDH1A1 1875/4885TDP1 1255/4885CYP3A4 2132/4885
US-20140329866-A1 OMEGA-CARBOXYARL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF ALDH1A1 1800/4885TDP1 2178/4885CYP3A4 3247/4885

“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.