SCHEMBL3752403

SCHEMBL3752403

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
KMO O15229 2/20 0.41
DHODH Q02127 2/20 0.41
FFAR2 O15552 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
FABP4 P15090 1/20 0.38
LMNA P02545 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
PFKFB3 Q16875 1/20 0.37
ADORA3 P0DMS8 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
SCHEMBL3753312 0.93 ADORA2A (0.43) ADORA2AADORA1KMODHODHNPSR1
SCHEMBL3747394 0.87 KMO (0.39) ADORA2AADORA1KMODHODHNPSR1
SCHEMBL8213830 0.82 ADORA2A (0.39) ADORA2AADORA1KMODHODH
SCHEMBL3759883 0.82 KMO (0.46) KMODHODHNPSR1
SCHEMBL3750094 0.78 ADORA2A (0.48) ADORA2AADORA1DHODHPFKFB3ADORA3
SCHEMBL3752343 0.78 GPBAR1 (0.36) ADORA2AADORA1NPSR1LMNAADORA3
SCHEMBL3752748 0.78 CTSA (0.38) KMO
SCHEMBL25459770 0.77 LMNA (0.46) KMOLMNA
SCHEMBL8218304 0.75 LMNA (0.43) ADORA2AADORA1LMNAADORA3
SCHEMBL3752597 0.75 ADORA2A (0.41) ADORA2AADORA1KMODHODHNPSR1

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 454/4885KMO 533/4885
US-20230150940-A1 HSD17B13 INHIBITORS AND USES THEREOF HSD17B1, HSD17B3, HSD17B13 ADORA2A 4678/4885ADORA1 4623/4885KMO 1170/4885

“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.