SCHEMBL7902953

SCHEMBL7902953

CC(C)(C)OC(=O)n1c(C(=O)O)cc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 16/20 0.55
NR1H3 Q13133 4/20 0.55
MCL1 Q07820 1/20 0.54
DAO P14920 1/20 0.51
CA12 O43570 1/20 0.51
CA9 Q16790 1/20 0.51
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL29781083 1.00 NR1H2 (0.55) NR1H2NR1H3MCL1DAOCA12
SCHEMBL29524946 0.88 NR1H2 (0.55) NR1H2NR1H3CA12CA9
SCHEMBL4251782 0.87 NR1H2 (0.54) NR1H2NR1H3CA12CA9
SCHEMBL29725642 0.87 NR1H2 (0.54) NR1H2NR1H3CA12CA9
SCHEMBL3852059 0.87 NR1H2 (0.57) NR1H2NR1H3CA12CA9
SCHEMBL18537881 0.86 NR1H2 (0.53) NR1H2NR1H3CA12CA9
SCHEMBL5957852 0.83 NR1H2 (0.51) NR1H2NR1H3CA12CA9
SCHEMBL6988076 0.83 MCL1 (0.58) MCL1DAOALDH1A1TSHR
SCHEMBL3995157 0.83 NR1H2 (0.42) NR1H2NR1H3MCL1ALDH1A1
SCHEMBL24894603 0.82 NOD2 (0.62) NR1H2NR1H3CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-11 US disclosed
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-11 US disclosed
CN-101541748-A Methods for treating hepatitis C PTC THERAPEUTICS INC (US) 2009-09-23 CN disclosed
US-6228868-B1 ANTICARCINOGENIC AND ANTITUMOR AGENTS ABBOTT LABORATORIES 2001-05-08 US disclosed
US-RE37094-E1 Heterocyclic substituted acylaminothiazoles, their preparation and pharmaceutical compositions containing them SANOFI (FR) 2001-03-13 US disclosed
US-5380736-A Cholecystokinin and gastric antagonist ELF SANOFI (FR) 1995-01-10 US disclosed
US-5314889-A Hormone antagonists ELF SANOFI (FR) 1994-05-24 US disclosed
US-5189049-A Cholecystokinin and gastrin inhibitors SANOFI (FR) 1993-02-23 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 (1 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-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME SLC10A1, NR1H4, SLC10A2 NR1H2 247/4885NR1H3 123/4885MCL1 3241/4885

“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.