SCHEMBL1958265

SCHEMBL1958265

COC(=O)C1=C(OS(=O)(=O)C(F)(F)F)CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 12/20 0.41
SLC6A2 P23975 9/20 0.41
SLC6A4 P31645 2/20 0.41
CXCR2 P25025 1/20 0.33
ACHE P22303 1/20 0.33
MAPT P10636 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL4548472 0.98 SLC6A3 (0.39) SLC6A3SLC6A2SLC6A4CXCR2ACHE
SCHEMBL502662 0.95 SLC6A3 (0.37) SLC6A3SLC6A2SLC6A4CXCR2ACHE
SCHEMBL1955758 0.85 LMNA (0.31) CXCR2
SCHEMBL8197222 0.85 LMNA (0.31) CXCR2
SCHEMBL2482088 0.85 LMNA (0.31) CXCR2
SCHEMBL2481485 0.85 LMNA (0.31) CXCR2
SCHEMBL6503256 0.85 SLC6A2 (0.36) SLC6A3SLC6A2SLC6A4
SCHEMBL17318442 0.84 ADORA1 (0.37) MAPTALDH1A1HSD17B10
SCHEMBL12592486 0.84 ADORA1 (0.37) MAPTALDH1A1HSD17B10
SCHEMBL8202859 0.84 ADORA1 (0.37) MAPTALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115433163-A NLRP3 inflammasome inhibitor and application thereof 药捷安康(南京)科技股份有限公司 2022-12-06 CN disclosed
EP-3666758-A1 PROCESS FOR THE PREPARATION OF A SULFONAMIDE DERIVATIVE AbbVie Inc. (US) 2020-06-17 EP disclosed
US-10407382-B2 EP4 agonists as therapeutic compounds ALLERGAN, INC. (US) 2019-09-10 US disclosed
EP-3152188-B1 NOVEL EP4 AGONISTS AS THERAPEUTIC COMPOUNDS ALLERGAN INC (US) 2019-02-13 EP disclosed
US-10100043-B2 Substituted aldehyde compounds and methods for their use in increasing tissue oxygenation GLOBAL BLOOD THERAPEUTICS, INC. (US) 2018-10-16 US disclosed
US-20180251426-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2018-09-06 US disclosed
US-20180170858-A1 NOVEL EP4 AGONISTS AS THERAPEUTIC COMPOUNDS ALLERGAN INC (US) 2018-06-21 US disclosed
US-9926262-B2 EP4 agonists as therapeutic compounds ALLERGAN, INC. (US) 2018-03-27 US disclosed
US-20170183293-A1 NOVEL EP4 AGONISTS AS THERAPEUTIC COMPOUNDS ALLERGAN, INC. 2017-06-29 US disclosed
EP-3152188-A1 NOVEL EP4 AGONISTS AS THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2017-04-12 EP disclosed
US-20100160322-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-06-24 US disclosed
US-20100152183-A1 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-06-17 US disclosed
US-20090209755-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-08-20 US disclosed
US-20090209755-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-08-20 US disclosed
US-20090209755-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-08-20 US disclosed
WO-2009091016-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-07-23 WO disclosed
EP-1790644-A1 Substituted benzopyrans as selective estrogen receptor-beta agonists ELI LILLY AND COMPANY (US) 2007-05-30 EP disclosed
EP-1448544-B1 SUBSTITUTED BENZOPYRANS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS LILLY CO ELI (US) 2007-05-16 EP disclosed
US-7217734-B2 Substituted benzopyrans as selective estrogen receptor-beta agonists ELI LILLY AND COMPANY (US) 2007-05-15 US disclosed
US-7217734-B2 Substituted benzopyrans as selective estrogen receptor-beta agonists ELI LILLY AND COMPANY (US) 2007-05-15 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 (8 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-10100043-B2 Substituted aldehyde compounds and methods for their use in increasing tissue oxygenation HBB, MB, HBG2 SLC6A3 3033/4885SLC6A2 3059/4885SLC6A4 2638/4885
US-20180251426-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 SLC6A3 4856/4885SLC6A2 4844/4885SLC6A4 4857/4885
US-20100152183-A1 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES BCL2, BCL3, BCL2L1 SLC6A3 4845/4885SLC6A2 4748/4885SLC6A4 4832/4885
US-20090209755-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 SLC6A3 340/4885SLC6A2 300/4885SLC6A4 1105/4885
US-10407382-B2 EP4 agonists as therapeutic compounds PTGER4, PTGER1, PTGER3 SLC6A3 3757/4885SLC6A2 4260/4885SLC6A4 1435/4885
US-20170183293-A1 NOVEL EP4 AGONISTS AS THERAPEUTIC COMPOUNDS PTGER4, PTGER1, PTGER3 SLC6A3 3487/4885SLC6A2 4117/4885SLC6A4 1117/4885
US-20100160322-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 SLC6A3 4856/4885SLC6A2 4844/4885SLC6A4 4857/4885
US-20180170858-A1 NOVEL EP4 AGONISTS AS THERAPEUTIC COMPOUNDS PTGER4, PTGER1, PTGER3 SLC6A3 3487/4885SLC6A2 4117/4885SLC6A4 1117/4885

“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.