Sugi Predict

Sugi Predict / Compounds / SCHEMBL4875133

SCHEMBL4875133

SCHEMBL4875133

COC(=O)c1ccc(C(=O)Cc2ccc(SC)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ HTT P42858 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ NPC1 O15118 6/20 0.52
▸ RAB9A P51151 6/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ LOXL2 Q9Y4K0 1/20 0.51
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ HAO1 Q9UJM8 1/20 0.48
▸ CYP4A11 Q02928 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ CYP4F2 P78329 1/20 0.46
▸ PLK1 P53350 1/20 0.45
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44

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
SCHEMBL9028787 1.00 MAPT (0.52) MAPTSMN1; SMN2HTTALDH1A1GAA
SCHEMBL749776 0.85 MAPT (0.66) MAPTSMN1; SMN2HTTALDH1A1GAA
SCHEMBL7839551 0.84 HTT (0.60) MAPTSMN1; SMN2HTTGAANPC1
SCHEMBL14156906 0.82 CA1 (0.69) MAPTSMN1; SMN2ALDH1A1GAAALOX15
SCHEMBL6386624 0.82 SRD5A2 (0.57) MAPTSMN1; SMN2HTTALDH1A1GAA
SCHEMBL7165400 0.82 TSHR (0.66) MAPTSMN1; SMN2ALDH1A1TSHRNPC1
SCHEMBL7832348 0.82 NPC1 (0.65) MAPTSMN1; SMN2ALDH1A1TSHRNPC1
SCHEMBL25244126 0.81 NPC1 (0.68) MAPTSMN1; SMN2ALDH1A1GAANPC1
SCHEMBL14157088 0.81 CA1 (0.70) MAPTSMN1; SMN2HTTALDH1A1NPC1
SCHEMBL7160001 0.81 MEN1 (0.68) MAPTSMN1; SMN2HTTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1608365-B1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE R TECH UENO LTD (JP) 2013-10-02 — — EP disclosed
US-7442715-B2 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2008-10-28 — — US disclosed
US-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2008-05-22 — — US disclosed
US-20060276521-A1 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2006-12-07 — — US disclosed
US-7125901-B2 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2006-10-24 — — US disclosed
US-20060229346-A1 Method for treating vascular hyperpermeable disease SUCAMPO AG (CH) 2006-10-12 — — US disclosed
US-20060128770-A1 Thiazole derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2006-06-15 — — US disclosed
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-12-23 — — US disclosed
US-6486194-B2 ALZHEIMER'S DISEASE MERCK FROSST CANADA, INC. (CA) 2002-11-26 — — US disclosed
US-20010016595-A1 Use of inhibitors of cyclooxygenase in the treatment of neurodegenerative diseases MERCK FROSST CANADA INC./MERCK FROSST CANADA & CO. 2001-08-23 — — US disclosed
EP-0822190-A1 Phenyl heterocycles as cyclooxygenase-2 inhibitors MERCK FROSST CANADA INC. (CA) 1998-02-04 — — EP disclosed
US-5710140-A ANTIINFLAMMATORY AGENT; ANALGESICS; ANTIPYRETIC AGENT MERCK FROSST CANADA, INC. (CA) 1998-01-20 — — US disclosed
EP-0754687-A1 Phenyl heterocycles as cyclooxygenase-2 inhibitors MERCK FROSST CANADA INC. (CA) 1997-01-22 — — EP disclosed
EP-0739340-A1 PHENYL HETEROCYCLES AS COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1996-10-30 — — EP disclosed
US-5550142-A CYCLOOXYGENASE INHIBITORS; ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETIC AGENTS MERCK FROSST CANADA INC. (CA) 1996-08-27 — — US disclosed
US-5536752-A TREATMENT OF CYCLOOXYGENASE-2 MEDIATED DISEASES; ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA INC. (CA) 1996-07-16 — — US disclosed
EP-0705254-A1 PHENYL HETEROCYCLES AS CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1996-04-10 — — EP disclosed
US-5474995-A Nonsteroidal, antiinflammatory agents MERCK FROSST CANADA, INC. (CA) 1995-12-12 — — US disclosed
WO-1995018799-A1 PHENYL HETEROCYCLES AS COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1995-07-13 — — WO disclosed
WO-1995000501-A2 PHENYL HETEROCYCLES AS CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1995-01-05 — — 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 (6 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-20010016595-A1 Use of inhibitors of cyclooxygenase in the treatment of neurodegenerative diseases PTGS1, PTGES2, PTGS2 MAPT 263/4885SMN1; SMN2 102/4885HTT 157/4885
US-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE VCAM1, ICAM1, VAPB MAPT 430/4885SMN1; SMN2 3771/4885HTT 1373/4885
US-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 MAPT 320/4885SMN1; SMN2 966/4885HTT 990/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 MAPT 670/4885SMN1; SMN2 3587/4885HTT 1616/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 MAPT 320/4885SMN1; SMN2 966/4885HTT 990/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB MAPT 1121/4885SMN1; SMN2 1570/4885HTT 1133/4885

“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.