SCHEMBL9230550

SCHEMBL9230550

CNS(=O)(=O)c1ccccc1C(C)C

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.43
HSD11B1 P28845 1/20 0.42
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 3/20 0.41
NR3C2 P08235 1/20 0.41
LMNA P02545 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
TSHR P16473 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL5722105 0.85 CYP1A2 (0.46) L3MBTL1CYP1A2POLBALDH1A1NR3C2
SCHEMBL9231458 0.82 L3MBTL1 (0.46) L3MBTL1POLBHSD11B1NPC1ALDH1A1
SCHEMBL19976336 0.82 CDK5 (0.42) L3MBTL1CYP1A2POLBALDH1A1LMNA
SCHEMBL14328457 0.81 NSD2 (0.47) L3MBTL1POLBHSD11B1NPC1ALDH1A1
SCHEMBL4731653 0.80 CYP1A2 (0.55) L3MBTL1CYP1A2ALDH1A1NR3C2LMNA
SCHEMBL9231102 0.79 CA12 (0.44) L3MBTL1POLBHSD11B1NPC1ALDH1A1
SCHEMBL9379437 0.79 HSD11B1 (0.54) L3MBTL1CYP1A2POLBHSD11B1NPC1
SCHEMBL13129159 0.78 DHFR (0.42) L3MBTL1HSD11B1TSHR
SCHEMBL9229798 0.78 ALDH1A1 (0.46) L3MBTL1POLBHSD11B1NPC1ALDH1A1
SCHEMBL27021684 0.78 L3MBTL1 (0.42) L3MBTL1POLBHSD11B1NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5437690-A Using an n-alkyl aromatic sulfonamide as dye promoter in dyeing aromatic polyamides, polybenzimidazoles, polyimides SPRINGS INDUSTRIES, INC. (US) 1995-08-01 US claimed
US-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE LOXO ONCOLOGY, INC. 2024-01-18 US disclosed
US-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE LOXO ONCOLOGY, INC. 2024-01-18 US disclosed
WO-2023212693-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PETRA PHARMA CORPORATION (US) 2023-11-02 WO disclosed
US-20230119740-A1 THERAPEUTIC COMPOUNDS AND METHODS GENENTECH, INC. (US) 2023-04-20 US disclosed
US-20180127388-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-10 US disclosed
US-20170197910-A1 SUBSTITUTED VINYL AND ALKYNYL CYANOCYCLOALKANOLS AND VINYL AND ALKYNYL CYANOHETEROCYCLOALKANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-07-13 US disclosed
US-20170197910-A1 SUBSTITUTED VINYL AND ALKYNYL CYANOCYCLOALKANOLS AND VINYL AND ALKYNYL CYANOHETEROCYCLOALKANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-07-13 US disclosed
US-20140080704-A1 SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-20 US disclosed
US-20140080704-A1 SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-20 US disclosed
US-7417040-B2 Fused tricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 US disclosed
US-5437690-A Using an n-alkyl aromatic sulfonamide as dye promoter in dyeing aromatic polyamides, polybenzimidazoles, polyimides SPRINGS INDUSTRIES, INC. (US) 1995-08-01 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 (5 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-20180127388-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 L3MBTL1 4239/4885CYP1A2 807/4885POLB 1165/4885
US-20230119740-A1 THERAPEUTIC COMPOUNDS AND METHODS PCK1, SLC5A1, PFKFB1 L3MBTL1 1641/4885CYP1A2 680/4885POLB 3461/4885
US-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PIK3CA, PIK3R4, PIK3R5 L3MBTL1 3117/4885CYP1A2 763/4885POLB 4192/4885
US-20140080704-A1 SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS CBR3, CYP4X1, CBR1 L3MBTL1 2316/4885CYP1A2 100/4885POLB 2530/4885
US-20170197910-A1 SUBSTITUTED VINYL AND ALKYNYL CYANOCYCLOALKANOLS AND VINYL AND ALKYNYL CYANOHETEROCYCLOALKANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS CBR1, CBR3, VRK1 L3MBTL1 661/4885CYP1A2 136/4885POLB 2172/4885

“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.