SCHEMBL99223

SCHEMBL99223

CC(C)c1cc(F)c(O)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.54
GABRB2 P47870 2/20 0.54
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
EIF4A3 P38919 1/20 0.43
RPS6KA3 P51812 1/20 0.42
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
RNASEH1 O60930 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
TRPA1 O75762 1/20 0.38
PTGS1 P23219 1/20 0.38
CACNA1C Q13936 1/20 0.38
FABP3 P05413 2/20 0.37
FABP4 P15090 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
ALOX12 P18054 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
SCHEMBL15631292 0.90 GABRA1 (0.61) GABRA1GABRB2ADRB2ADRB1ADRB3
SCHEMBL25505919 0.86 GABRA1 (0.47) GABRA1GABRB2ADRB2ADRB1ADRB3
SCHEMBL22251623 0.84 HSD17B10 (0.46) GABRA1GABRB2ADRB2ADRB1ADRB3
SCHEMBL31075865 0.84 GABRA1 (0.45) GABRA1GABRB2ADRB2ADRB1ADRB3
SCHEMBL7916578 0.84 ADRB2 (0.46) GABRA1GABRB2ADRB2ADRB1ADRB3
SCHEMBL27439609 0.78 GABRA1 (0.54) GABRA1GABRB2ADRB2ADRB1ADRB3
SCHEMBL8134770 0.78 CES2 (0.41) GABRA1GABRB2ADRB2ADRB1ADRB3
SCHEMBL4471799 0.78 ADRB2 (0.39) GABRA1GABRB2ADRB2ADRB1ADRB3
SCHEMBL1597063 0.78 CYP1A2 (0.48) ADRB2ADRB1ADRB3RPS6KA3CYP1A2
SCHEMBL6346880 0.78 GABRA1 (0.73) GABRA1GABRB2ADRB2ADRB1ADRB3

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 176 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037324-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
US-12037324-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
US-20230286933-A1 2,5-ARYL-THIAZOLE ANALOGS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SOUTHERN RES INST (US) 2023-09-14 US disclosed
US-20230279426-A1 MODIFIED VIRAL COMPOSITIONS FOR VIRAL TRANSDUCTION LYCIA THERAPEUTICS, INC. 2023-09-07 US disclosed
US-11718593-B2 2,5-aryl-thiazole analogs for the treatment of neurodegenerative diseases SOUTHERN RESEARCH INSTITUTE (US) 2023-08-08 US disclosed
WO-2023118576-A1 DHODH INHIBITORS CONTAINING A CARBOXYLIC ACID BIOISOSTERE IMMUNIC AG (DE) 2023-06-29 WO disclosed
US-20230167131-A1 HETEROCYCLIC PAD4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-06-01 US disclosed
US-20230167131-A1 HETEROCYCLIC PAD4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-06-01 US disclosed
US-20230159445-A1 STAT INHIBITORY COMPOUNDS AND COMPOSITIONS OXFORD FINANCE LLC 2023-05-25 US disclosed
US-20230150946-A1 HETEROCYCLE CONTAINING STAT INHIBITORS AND COMPOSITIONS OXFORD FINANCE LLC 2023-05-18 US disclosed
US-20070281981-A1 Glaucoma; 3-substituted pyrrolidine compounds; prostaglandin receptor modulators ALLERGAN, INC. 2007-12-06 US disclosed
US-20070270387-A1 THERAPEUTIC CYCLOPENTANE DERIVATIVES ALLERGAN, INC 2007-11-22 US disclosed
US-20070265321-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. 2007-11-15 US disclosed
US-20070259929-A1 Therapeutic Compounds ALLERGAN, INC. 2007-11-08 US disclosed
US-20070259947-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. 2007-11-08 US disclosed
US-20070259836-A1 THERAPEUTIC CYCLOPENTANE DERIVATIVES ALLERGAN, INC. 2007-11-08 US disclosed
US-7238692-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-07-03 US disclosed
US-20070099874-A1 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-05-03 US disclosed
US-20070099874-A1 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-05-03 US disclosed
US-7169785-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-30 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 (14 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-20230150946-A1 HETEROCYCLE CONTAINING STAT INHIBITORS AND COMPOSITIONS STAT5A, STAT5B, STAT3 GABRA1 3590/4885GABRB2 3049/4885ADRB2 3963/4885
US-20070281981-A1 Glaucoma; 3-substituted pyrrolidine compounds; prostaglandin receptor modulators PTGIR, PTGIS, PTGS1 GABRA1 360/4885GABRB2 466/4885ADRB2 160/4885
US-11718593-B2 2,5-aryl-thiazole analogs for the treatment of neurodegenerative diseases SMN1; SMN2, TDP2, TDP1 GABRA1 1342/4885GABRB2 544/4885ADRB2 120/4885
US-20070259836-A1 THERAPEUTIC CYCLOPENTANE DERIVATIVES PTGIS, PTGIR, CYP11B2 GABRA1 983/4885GABRB2 716/4885ADRB2 118/4885
US-20230159445-A1 STAT INHIBITORY COMPOUNDS AND COMPOSITIONS STAT5A, STAT5B, STAT3 GABRA1 3193/4885GABRB2 2318/4885ADRB2 3558/4885
US-20070099874-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS GABRA1 4438/4885GABRB2 3778/4885ADRB2 2455/4885
US-20070259929-A1 Therapeutic Compounds PIGO, CYC1, COXFA4L2 GABRA1 1375/4885GABRB2 1112/4885ADRB2 546/4885
US-20070259947-A1 THERAPEUTIC COMPOUNDS GOT2, ANXA5, MMP8 GABRA1 3548/4885GABRB2 2981/4885ADRB2 1359/4885
US-20070265321-A1 THERAPEUTIC COMPOUNDS ACER2, SLC10A1, ASAH2 GABRA1 2585/4885GABRB2 2130/4885ADRB2 1116/4885
US-20070270387-A1 THERAPEUTIC CYCLOPENTANE DERIVATIVES ABCB1, CYP11B2, SLC10A1 GABRA1 1491/4885GABRB2 1641/4885ADRB2 441/4885
US-12037324-B2 Biarylmethyl heterocycles ARRB1, ADRB2, ADRB1 GABRA1 164/4885GABRB2 123/4885ADRB2 2/4885
US-20230279426-A1 MODIFIED VIRAL COMPOSITIONS FOR VIRAL TRANSDUCTION HAVCR2, ASGR1, FCGR3B GABRA1 1734/4885GABRB2 2552/4885ADRB2 3819/4885
US-20230167131-A1 HETEROCYCLIC PAD4 INHIBITORS PADI4, PADI2, PADI6 GABRA1 3345/4885GABRB2 2539/4885ADRB2 4303/4885
US-20230286933-A1 2,5-ARYL-THIAZOLE ANALOGS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SMN1; SMN2, TDP2, TDP1 GABRA1 1342/4885GABRB2 544/4885ADRB2 120/4885

“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.