Sugi Predict

Sugi Predict / Compounds / SCHEMBL243576

SCHEMBL243576

SCHEMBL243576

O=[N+]([O-])c1cc(C2OCCO2)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.50
▸ GPR35 Q9HC97 2/20 0.50
▸ TP53 P04637 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ TSHR P16473 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ HTT P42858 1/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ PKM P14618 2/20 0.48
▸ ALDH5A1 P51649 1/20 0.46
▸ ABAT P80404 1/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ MAPT P10636 4/20 0.45
▸ KDM4E B2RXH2 2/20 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
SCHEMBL3784361 0.94 MAPK1 (0.47) MAPK1GPR35TP53HPGDTSHR
SCHEMBL1418761 0.81 GPR35 (0.47) MAPK1GPR35TP53HPGDTSHR
SCHEMBL29224610 0.81 ALDH1A1 (0.50) MAPK1SMN1; SMN2ALDH1A1HTTCA1
SCHEMBL2653828 0.81 HTT (0.49) MAPK1SMN1; SMN2ALDH1A1HTTL3MBTL1
SCHEMBL17311198 0.81 TTR (0.50) MAPK1GPR35HPGDALDH1A1HTT
SCHEMBL4574951 0.79 MAPK1 (0.49) MAPK1GPR35TP53HPGDTSHR
SCHEMBL6981624 0.78 MAPK1 (0.55) MAPK1GPR35TP53HPGDTSHR
SCHEMBL27038239 0.77 MAPK1 (0.50) MAPK1GPR35TP53HPGDTSHR
SCHEMBL3045833 0.77 TUBB4A (0.58) MAPK1TSHRSMN1; SMN2ALDH1A1HTT
SCHEMBL5913326 0.77 HTT (0.46) HPGDALDH1A1HTTL3MBTL1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025021928-A1 IDURONIDASE-CLEAVABLE COMPOUNDS MERCK PATENT GMBH (DE) 2025-01-30 — — WO disclosed
US-11584717-B2 MIF modulators YALE UNIVERSITY (US) 2023-02-21 — — US disclosed
US-20200377457-A1 MIF MODULATORS UNIV YALE (US) 2020-12-03 — — US disclosed
US-20190270706-A1 MIF MODULATORS UNIV YALE (US) 2019-09-05 — — US disclosed
US-10202343-B2 MIF modulators YALE UNIVERSITY (US) 2019-02-12 — — US disclosed
US-20180162813-A1 MIF MODULATORS YALE UNIVERSITY 2018-06-14 — — US disclosed
US-20180162813-A1 MIF MODULATORS YALE UNIVERSITY 2018-06-14 — — US disclosed
US-9643922-B2 MIF modulators YALE UNIVERSITY (US) 2017-05-09 — — US disclosed
US-9643922-B2 MIF modulators YALE UNIVERSITY (US) 2017-05-09 — — US disclosed
US-9643922-B2 MIF modulators YALE UNIVERSITY (US) 2017-05-09 — — US disclosed
WO-2010021693-A2 MIF MODULATORS YALE UNIVERSITY (US) 2010-02-25 — — WO disclosed
US-7605136-B2 Epothilone - saccharide complex; antiproliferative agents; antitumor agents; antiinflammatory agents; central nervous system disorders; multiple sclerosis; Alzheimer's disease; rheumatic disorders; antiarthritic agents BAYER SCHERING PHARMA AG (DE) 2009-10-20 — — US disclosed
US-20060276413-A1 New effector conjugates, methods for their preparation and their pharmaceutical use BOSSLET KLAUS 2006-12-07 — — US disclosed
US-20040167083-A1 Effector conjugates, methods for their preparation and their pharmaceutical use SCHERING AG (DE) 2004-08-26 — — US disclosed
EP-1015437-B1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS SCHERING AG (DE) 2003-12-03 — — EP disclosed
US-6365736-B1 TREATMENT OF NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS AND FOR ACTIVITY AS NO-SYNTHASES (NOS) INHIBITORS. SCHERING AKTIENGESELLSCHAFT (DE) 2002-04-02 — — US disclosed
EP-1015437-A1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS SCHERING AKTIENGESELLSCHAFT (DE) 2000-07-05 — — EP disclosed
WO-1999012915-A1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS SCHERING AKTIENGESELLSCHAFT (DE) 1999-03-18 — — WO disclosed
US-5308840-A Antioxidants, antiallergens and antiinflammatory agents GREEN CROSS CORPORATION (JP) 1994-05-03 — — US disclosed
EP-0508334-A2 Novel aminophenol derivatives and pharmaceutical compositions thereof THE GREEN CROSS CORPORATION (JP) 1992-10-14 — — 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 (7 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-11584717-B2 MIF modulators MIF, HMGB2, HMGB3 MAPK1 2634/4885GPR35 552/4885TP53 1948/4885
US-20200377457-A1 MIF MODULATORS MIF, HMGB2, HMGB3 MAPK1 2634/4885GPR35 552/4885TP53 1948/4885
US-20180162813-A1 MIF MODULATORS MIF, HMGB2, HMGB3 MAPK1 2634/4885GPR35 552/4885TP53 1948/4885
US-20060276413-A1 New effector conjugates, methods for their preparation and their pharmaceutical use EPOR, FLT4, SELE MAPK1 2631/4885GPR35 1114/4885TP53 1439/4885
US-10202343-B2 MIF modulators MIF, HMGB2, HMGB3 MAPK1 2634/4885GPR35 552/4885TP53 1948/4885
US-20040167083-A1 Effector conjugates, methods for their preparation and their pharmaceutical use EPOR, SELE, FLT1 MAPK1 2784/4885GPR35 952/4885TP53 1214/4885
US-20190270706-A1 MIF MODULATORS MIF, HMGB2, HMGB3 MAPK1 2634/4885GPR35 552/4885TP53 1948/4885

“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.