Sugi Predict

Sugi Predict / Compounds / SCHEMBL3753312

SCHEMBL3753312

SCHEMBL3753312

COC(=O)c1c(C)cc(-c2cccc(OC)c2F)nc1Oc1ccccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.43
▸ ADORA1 P30542 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.39
▸ ADORA3 P0DMS8 3/20 0.39
▸ PFKFB3 Q16875 2/20 0.39
▸ TSHR P16473 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ DHODH Q02127 1/20 0.38
▸ KMO O15229 1/20 0.38
▸ CHRNA7 P36544 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ GRM4 Q14833 1/20 0.37
▸ ADORA2B P29275 1/20 0.37
▸ PDCD1 Q15116 1/20 0.37
▸ CD274 Q9NZQ7 1/20 0.37

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
SCHEMBL3752403 0.93 ADORA2A (0.41) ADORA2AADORA1NPSR1ADORA3PFKFB3
SCHEMBL3750094 0.86 ADORA2A (0.48) ADORA2AADORA1ADORA3PFKFB3DHODH
SCHEMBL8218304 0.82 LMNA (0.43) ADORA2AADORA1ADORA3TSHRLMNA
SCHEMBL3747394 0.82 KMO (0.39) ADORA2AADORA1NPSR1LMNADHODH
SCHEMBL3752343 0.79 GPBAR1 (0.36) ADORA2AADORA1NPSR1ADORA3TSHR
SCHEMBL3759883 0.79 KMO (0.46) NPSR1HTTALDH1A1DHODHKMO
SCHEMBL8213830 0.77 ADORA2A (0.39) ADORA2AADORA1ALDH1A1DHODHKMO
SCHEMBL25459770 0.77 LMNA (0.46) TSHRLMNAKMOCD274
SCHEMBL3752947 0.73 ERN1 (0.45) LMNAALDH1A1KMOCD274
SCHEMBL8202544 0.73 ALDH1A1 (0.35) NPSR1LMNAGAAHTTALDH1A1

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 ADORA2A 509/4885ADORA1 454/4885NPSR1 1397/4885
US-20230150940-A1 HSD17B13 INHIBITORS AND USES THEREOF HSD17B1, HSD17B3, HSD17B13 ADORA2A 4678/4885ADORA1 4623/4885NPSR1 4027/4885

“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.