Sugi Predict

Sugi Predict / Compounds / SCHEMBL3752343

SCHEMBL3752343

SCHEMBL3752343

COc1cccc(-c2cc(C(F)(F)F)c(C(=O)OC(C)(C)C)c(Oc3ccccc3Cl)n2)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ NPSR1 Q6W5P4 3/20 0.36
▸ PTK2 Q05397 2/20 0.36
▸ LMNA P02545 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MITF O75030 1/20 0.34
▸ STAT3 P40763 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ AKR1C3 P42330 1/20 0.34
▸ AKR1C2 P52895 1/20 0.34
▸ RORB Q92753 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33

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
SCHEMBL8202544 0.91 ALDH1A1 (0.35) GPBAR1NPSR1LMNAHPGDHTT
SCHEMBL3747394 0.89 KMO (0.39) GPBAR1ADORA2AADORA1NPSR1PTK2
SCHEMBL3757598 0.87 ADORA2A (0.39) GPBAR1ADORA2AADORA1NPSR1PTK2
SCHEMBL3752748 0.80 CTSA (0.38) RORC
SCHEMBL3753269 0.79 MAPK10 (0.39) LMNAHPGDKDM4ERORBALDH1A1
SCHEMBL3753312 0.79 ADORA2A (0.43) ADORA2AADORA1NPSR1LMNAKDM4E
SCHEMBL3752403 0.78 ADORA2A (0.41) ADORA2AADORA1NPSR1LMNAADORA3
SCHEMBL3752597 0.76 ADORA2A (0.41) GPBAR1ADORA2AADORA1NPSR1LMNA
SCHEMBL3759883 0.72 KMO (0.46) NPSR1HPGDKDM4EHTTALDH1A1
SCHEMBL25459770 0.72 LMNA (0.46) LMNAL3MBTL1CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230150940-A1 HSD17B13 INHIBITORS AND USES THEREOF INIPHARM, INC. 2023-05-18 — — US disclosed
US-20230150940-A1 HSD17B13 INHIBITORS AND USES THEREOF INIPHARM, INC. 2023-05-18 — — US disclosed
WO-2021211974-A1 HSD17B13 INHIBITORS AND USES THEREOF INIPHARM, INC. (US) 2021-10-21 — — WO disclosed
US-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-25 — — US disclosed
US-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-25 — — US disclosed
US-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-25 — — US 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 (2 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-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF NAPRT, PNPO, FABP3 GPBAR1 559/4885ADORA2A 509/4885ADORA1 454/4885
US-20230150940-A1 HSD17B13 INHIBITORS AND USES THEREOF HSD17B1, HSD17B3, HSD17B13 GPBAR1 184/4885ADORA2A 4678/4885ADORA1 4623/4885

“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.