Sugi Predict

Sugi Predict / Compounds / SCHEMBL5511257

SCHEMBL5511257

SCHEMBL5511257

Cc1onc(-c2c(Cl)cccc2Cl)c1CBr

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 4/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ ALDH1A1 P00352 5/20 0.54
▸ TSHR P16473 1/20 0.54
▸ LMNA P02545 3/20 0.51
▸ MAPT P10636 3/20 0.51
▸ GAA P10253 3/20 0.51
▸ NPSR1 Q6W5P4 4/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ MAPK1 P28482 1/20 0.48
▸ PKM P14618 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ GLA P06280 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ PTGS2 P35354 1/20 0.47
▸ NR1H4 Q96RI1 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ GPBAR1 Q8TDU6 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
SCHEMBL12168915 0.85 TDP1 (0.55) TDP1L3MBTL1ALDH1A1TSHRLMNA
SCHEMBL2304253 0.85 L3MBTL1 (0.59) TDP1L3MBTL1ALDH1A1TSHRLMNA
SCHEMBL3451972 0.84 ALDH1A1 (0.57) TDP1L3MBTL1ALDH1A1TSHRLMNA
SCHEMBL22790395 0.83 TDP1 (0.53) TDP1L3MBTL1ALDH1A1TSHRLMNA
SCHEMBL11527240 0.80 L3MBTL1 (0.54) TDP1L3MBTL1ALDH1A1TSHRLMNA
SCHEMBL22790344 0.80 TDP1 (0.54) TDP1L3MBTL1ALDH1A1TSHRLMNA
SCHEMBL1097396 0.80 NR1H4 (0.66) NR1H4
SCHEMBL1097035 0.79 NR1H4 (0.54) NR1H4
SCHEMBL10394020 0.78 ALDH1A1 (0.61) TDP1L3MBTL1ALDH1A1TSHRLMNA
SCHEMBL1283334 0.78 ALDH1A1 (0.61) TDP1L3MBTL1ALDH1A1TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108064223-B FXR (NR1H4) MODULATING COMPOUNDS CONTAINING HYDROXY GROUPS 吉利德科学公司 2021-06-01 — — CN disclosed
WO-2020211872-A1 FXR SMALL MOLECULE AGONIST AND PREPARATION METHOD THEREFOR AND USE THEREOF 中国科学院上海药物研究所 2020-10-22 — — WO disclosed
EP-3233850-B1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES INC (US) 2019-04-03 — — EP disclosed
EP-3233850-B1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES INC (US) 2019-04-03 — — EP disclosed
EP-3233850-A1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS Gilead Sciences, Inc. (US) 2017-10-25 — — EP disclosed
US-9751874-B2 Hydroxy containing FXR (NR1H4) modulating compounds GILEAD SCIENCES, INC. (US) 2017-09-05 — — US disclosed
US-9751874-B2 Hydroxy containing FXR (NR1H4) modulating compounds GILEAD SCIENCES, INC. (US) 2017-09-05 — — US disclosed
US-9751874-B2 Hydroxy containing FXR (NR1H4) modulating compounds GILEAD SCIENCES, INC. (US) 2017-09-05 — — US disclosed
US-20160176861-A1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2016-06-23 — — US disclosed
US-20160176861-A1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2016-06-23 — — US disclosed
WO-2016096115-A1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2016-06-23 — — WO disclosed
US-20160176861-A1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2016-06-23 — — US disclosed
US-RE39916-E1 Compounds that modulate PPAR activity and methods for their preparation WARNER LAMBERT COMPANY (US) 2007-11-06 — — US disclosed
US-6964983-B2 Compounds that modulate PPAR activity and methods for their preparation WARNER-LAMBERT COMPANY, LLC (US) 2005-11-15 — — US disclosed
US-6939875-B2 Carbocyclic oxy sulfides such as [4-(Biphenyl-4-ylmethylsulfanyl)-5-methoxy-2-methyl-phenoxy]-acetic acid, used to control peroxisome proliferator activated receptors (PPAR), for prophylaxis of metabolic disorders WARNER-LAMBERT COMPANY (US) 2005-09-06 — — US disclosed
US-20050153996-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION AUERBACH BRUCE J (US) 2005-07-14 — — US disclosed
US-20050113440-A1 Compounds that modulate PPAR activity and methods for their preparation AUERBACH BRUCE J (US) 2005-05-26 — — US disclosed
EP-1494989-A2 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION WARNER-LAMBERT COMPANY LLC (US) 2005-01-12 — — EP disclosed
US-20030225158-A1 Compounds that modulate PPAR activity and methods for their preparation WARNER-LAMBERT COMPANY 2003-12-04 — — US disclosed
WO-2003084916-A2 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION WARNER-LAMBERT COMPANY LLC (US) 2003-10-16 — — 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 (4 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-20030225158-A1 Compounds that modulate PPAR activity and methods for their preparation GPR119, PPARA, PPARG TDP1 3973/4885L3MBTL1 3408/4885ALDH1A1 2456/4885
US-20050113440-A1 Compounds that modulate PPAR activity and methods for their preparation GPR119, PPARA, PPARG TDP1 3973/4885L3MBTL1 3408/4885ALDH1A1 2456/4885
US-20050153996-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION GPR119, PPARA, PPARG TDP1 3973/4885L3MBTL1 3408/4885ALDH1A1 2456/4885
US-20160176861-A1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS NR1H4, NR1H3, NR1H2 TDP1 4801/4885L3MBTL1 4449/4885ALDH1A1 2674/4885

“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.