SCHEMBL48553

SCHEMBL48553

CS(=O)(=O)c1ccc(C=O)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CCR2 P41597 2/20 0.41
PTGS2 P35354 2/20 0.39
TSHR P16473 1/20 0.37
KDM4E B2RXH2 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 2/20 0.36
CYP2A6 P11509 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
KIF11 P52732 1/20 0.35
GRM4 Q14833 1/20 0.35
AOX1 Q06278 1/20 0.34
TRIM24 O15164 1/20 0.34
ALDH5A1 P51649 1/20 0.34
ABAT P80404 1/20 0.34

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
SCHEMBL29399275 1.00 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2CCR2PTGS2TSHR
SCHEMBL7754930 0.85 PTGS2 (0.39) ALDH1A1SMN1; SMN2CCR2PTGS2TSHR
SCHEMBL15574149 0.81 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2PTGS2TSHRKDM4E
SCHEMBL23200538 0.81 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2PTGS2KDM4ERAB9A
SCHEMBL30228794 0.78 L3MBTL1 (0.55) ALDH1A1PTGS2TSHRKDM4ERAB9A
SCHEMBL6364244 0.78 L3MBTL1 (0.55) ALDH1A1PTGS2TSHRKDM4ERAB9A
SCHEMBL7017664 0.77 ALDH1A3 (0.46) ALDH1A1SMN1; SMN2PTGS2TSHRKDM4E
SCHEMBL2395571 0.77 ALDH1A1 (0.55) ALDH1A1CCR2PTGS2TSHRKDM4E
SCHEMBL2393712 0.77 KIF11 (0.42) ALDH1A1CCR2TSHRL3MBTL1PIK3CD
SCHEMBL7019345 0.76 TDP1 (0.46) ALDH1A1PTGS2KDM4EL3MBTL1PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1091933-B1 SUBSTITUTED BETA-DIKETONES AND THEIR USE ORION CORP (FI) 2003-11-26 EP claimed
EP-1091933-A1 SUBSTITUTED $g(b)-DIKETONES AND THEIR USE ORION CORPORATION (FI) 2001-04-18 EP claimed
WO-2000001667-A1 SUBSTITUTED β-DIKETONES AND THEIR USE ORION CORPORATION (FI) 2000-01-13 WO claimed
US-12492188-B2 1H-benzo[D]imidazole derivatives as TLR9 inhibitors for the treatment of fibrosis BRISTOL-MYERS SQUIBB COMPANY (US) 2025-12-09 US disclosed
EP-4200292-B1 1H-BENZO[D]IMIDAZOLE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS BRISTOL MYERS SQUIBB CO (US) 2024-11-13 EP disclosed
US-12030871-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors ORION CORPORATION (FI) 2024-07-09 US disclosed
CN-112218627-B Prodrugs and their medical use 康维尔特制药有限公司 2024-04-16 CN disclosed
US-20230295122-A1 1H-BENZO[D]IMIDAZOLE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS BRISTOL MYERS SQUIBB CO (US) 2023-09-21 US disclosed
WO-2023154344-A1 2-METHYL-4',5'-DIHYDROSPIRO[PIPERIDINE-4,7'-THIENO[2,3-C]PYRAN] DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-08-17 WO disclosed
EP-4200292-A1 1H-BENZO[D]IMIDAZOLE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS Bristol-Myers Squibb Company (US) 2023-06-28 EP disclosed
CN-116075510-A 1H-benzo [ d ] imidazole derivatives as TLR9 inhibitors for the treatment of fibrosis 百时美施贵宝公司 2023-05-05 CN disclosed
US-20050119320-A1 5-phenylthiazole derivatives and use as pi3 kinase inhibitors NOVARTIS AG (CH) 2005-06-02 US disclosed
WO-2005021519-A2 5-PHENYL-4-METHYL-THIAZOL-2-YL-AMINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL 3 KINASE ENZYMES (PI3) FOR THE TREATMENT OF INFLAMMATORY AIRWAY DISEASES NOVARTIS AG (CH) 2005-03-10 WO disclosed
EP-1480962-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS Novartis AG (CH) 2004-12-01 EP disclosed
WO-2004078754-A1 5-PHENYLTHIAZOLE DERIVATIVES AND THEIR USE AS P13 KINASE INHIBITORS NOVARTIS AG (CH) 2004-09-16 WO disclosed
EP-1091933-B1 SUBSTITUTED BETA-DIKETONES AND THEIR USE ORION CORP (FI) 2003-11-26 EP disclosed
WO-2003072557-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS NOVARTIS AG (CH) 2003-09-04 WO disclosed
EP-1091933-A1 SUBSTITUTED $g(b)-DIKETONES AND THEIR USE ORION CORPORATION (FI) 2001-04-18 EP disclosed
US-6201027-B1 NONSTEROIDAL ANTIINFLAMMATORY DRUG FOR PROPHYLAXIS AND TREATMENT OF RESPIRATORY SYSTEM DISORDERS, I.E. ASTHMA, IN STEROID-RESISTANT MAMMALS ORION CORPORATION (FI) 2001-03-13 US disclosed
WO-2000001667-A1 SUBSTITUTED β-DIKETONES AND THEIR USE ORION CORPORATION (FI) 2000-01-13 WO 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 (4 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-20230295122-A1 1H-BENZO[D]IMIDAZOLE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS TLR9, TLR1, TLR7 ALDH1A1 1720/4885SMN1; SMN2 2680/4885CCR2 1308/4885
US-12492188-B2 1H-benzo[D]imidazole derivatives as TLR9 inhibitors for the treatment of fibrosis TLR9, TLR1, TLR7 ALDH1A1 1720/4885SMN1; SMN2 2680/4885CCR2 1308/4885
US-12030871-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors CYP11B1, CYP11B2, CYP4A11 ALDH1A1 133/4885SMN1; SMN2 4744/4885CCR2 3593/4885
US-20050119320-A1 5-phenylthiazole derivatives and use as pi3 kinase inhibitors PIK3CA, PIK3R5, PIP5K1B ALDH1A1 3271/4885SMN1; SMN2 2920/4885CCR2 3380/4885

“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.