Sugi Predict

Sugi Predict / Compounds / SCHEMBL1095989

SCHEMBL1095989

SCHEMBL1095989

CC(C)c1cnn(-c2c(Cl)cccc2Cl)c1CO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 2/20 0.46
▸ GABRA1 P14867 1/20 0.39
▸ GABRG2 P18507 1/20 0.39
▸ GABRB3 P28472 1/20 0.39
▸ NPBWR1 P48145 2/20 0.36
▸ MCHR1 Q99705 2/20 0.36
▸ MAPK14 Q16539 6/20 0.34
▸ DHODH Q02127 3/20 0.34
▸ KCNJ5 P48544 3/20 0.32
▸ KCNJ3 P48549 3/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CCNK O75909 1/20 0.32
▸ CCND3 P30281 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ CDK7 P50613 1/20 0.32
▸ CDK9 P50750 1/20 0.32
▸ CCNH P51946 1/20 0.32
▸ CDK6 Q00534 1/20 0.32
▸ CDK12 Q9NYV4 1/20 0.32

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
SCHEMBL3774518 0.87 NR1H4 (0.39) NR1H4GABRA1GABRG2GABRB3NPBWR1
SCHEMBL2774647 0.87 NR1H4 (0.45) NR1H4NPBWR1MCHR1MAPK14
SCHEMBL1096331 0.85 NR1H4 (0.44) NR1H4NPBWR1MCHR1MAPK14
SCHEMBL21340190 0.83 NR1H4 (0.43) NR1H4MAPK14
SCHEMBL27896299 0.83 NR1H4 (0.43) NR1H4MAPK14
SCHEMBL2775151 0.83 NR1H4 (0.37) NR1H4GABRA1GABRG2GABRB3NPBWR1
SCHEMBL26272107 0.83 NR1H4 (0.43) NR1H4NPBWR1MCHR1MAPK14
SCHEMBL2773215 0.82 GABRA1 (0.39) NR1H4GABRA1GABRG2GABRB3MAPK14
SCHEMBL2772721 0.80 KCNJ5 (0.39) NR1H4NPBWR1MAPK14KCNJ5KCNJ3
SCHEMBL2773824 0.78 NR1H4 (0.56) NR1H4NPBWR1MCHR1MAPK14KCNJ5

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3529247-B1 HETEROCYCLIC FXR MODULATORS HEPAGENE THERAPEUTICS HK LTD (HK) 2021-08-18 — — EP disclosed
EP-3529247-B1 HETEROCYCLIC FXR MODULATORS HEPAGENE THERAPEUTICS HK LTD (HK) 2021-08-18 — — EP disclosed
US-10899723-B2 Heterocyclic containing cyclopropyl FXR modulators Hepagene Therapeutics (HK) Limited (HK) 2021-01-26 — — US disclosed
EP-3256468-B1 TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO LTD (CN) 2020-04-08 — — EP disclosed
CN-105884758-B Tricyclic compounds and their use in medicine 广东东阳光药业有限公司 2019-12-10 — — CN disclosed
US-20190248752-A1 HETEROCYCLIC FXR MODULATORS Hepagene Therapeutics (HK) Limited (HK) 2019-08-15 — — US disclosed
US-20190248752-A1 HETEROCYCLIC FXR MODULATORS Hepagene Therapeutics (HK) Limited (HK) 2019-08-15 — — US disclosed
US-10183917-B2 Tricyclic compounds and uses thereof in medicine SUNSHINE LAKE PHARMA CO., LTD. (CN) 2019-01-22 — — US disclosed
WO-2018075207-A1 HETEROCYCLIC FXR MODULATORS HEPAGENE THERAPEUTICS, INC. (VG) 2018-04-26 — — WO disclosed
US-20180030003-A1 TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2018-02-01 — — US disclosed
US-8153624-B2 Compounds and methods for modulating FXR ELI LILLY AND COMPANY (US) 2012-04-10 — — US disclosed
EP-2178851-B1 COMPOUNDS AND METHODS FOR MODULATING FXR LILLY CO ELI (US) 2011-12-28 — — EP disclosed
US-7846960-B2 FXR agonists ELI LILLY AND COMPANY (US) 2010-12-07 — — US disclosed
US-20100152166-A1 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2010-06-17 — — US disclosed
EP-2029547-B1 FXR AGONISTS LILLY CO ELI (US) 2010-04-28 — — EP disclosed
EP-2178851-A1 COMPOUNDS AND METHODS FOR MODULATING FXR Eli Lilly & Company (US) 2010-04-28 — — EP disclosed
US-20090270460-A1 FXR AGONISTS JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2009-10-29 — — US disclosed
EP-2029547-A1 FXR AGONISTS ELI LILLY AND COMPANY (US) 2009-03-04 — — EP disclosed
WO-2009012125-A1 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2009-01-22 — — WO disclosed
WO-2007140183-A1 FXR AGONISTS ELI LILLY AND COMPANY (US) 2007-12-06 — — 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-10899723-B2 Heterocyclic containing cyclopropyl FXR modulators NR1H4, FXR1, GPBAR1 NR1H4 1/4885GABRA1 1879/4885GABRG2 1816/4885
US-20190248752-A1 HETEROCYCLIC FXR MODULATORS NR1H4, FXR1, NR1H2 NR1H4 1/4885GABRA1 2186/4885GABRG2 1924/4885
US-20090270460-A1 FXR AGONISTS NR1H4, SLC10A1, GPBAR1 NR1H4 1/4885GABRA1 654/4885GABRG2 624/4885
US-20180030003-A1 TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE NR1H4, SLC10A1, SLC10A2 NR1H4 1/4885GABRA1 1721/4885GABRG2 2802/4885
US-10183917-B2 Tricyclic compounds and uses thereof in medicine NR1H4, SLC10A1, SLC10A2 NR1H4 1/4885GABRA1 1721/4885GABRG2 2802/4885
US-20100152166-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NR1H4, FXR1, SLC10A1 NR1H4 1/4885GABRA1 1001/4885GABRG2 1095/4885

“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.