SCHEMBL2567982

SCHEMBL2567982

COc1ccc(S(=O)(=O)O)c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
FABP4 P15090 8/20 0.55
NPC1 O15118 1/20 0.54
MAPK1 P28482 2/20 0.50
MPL P40238 1/20 0.50
SLC2A1 P11166 1/20 0.50
TSHR P16473 2/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
IDO1 P14902 1/20 0.48

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
SCHEMBL13719098 0.98 ALDH1A1 (0.54) ALDH1A1FABP4NPC1MAPK1MPL
SCHEMBL3781603 0.98 ALDH1A1 (0.54) ALDH1A1FABP4NPC1MAPK1MPL
SCHEMBL1415943 0.98 ALDH1A1 (0.54) ALDH1A1FABP4NPC1MAPK1MPL
SCHEMBL5239888 0.89 TTR (0.55) ALDH1A1FABP4NPC1MAPK1MPL
SCHEMBL9468792 0.85 ALDH1A1 (0.46) ALDH1A1FABP4NPC1MPLHTT
SCHEMBL30855487 0.83 ALDH1A1 (0.56) ALDH1A1FABP4NPC1MAPK1SLC2A1
SCHEMBL15461561 0.83 ALDH1A1 (0.56) ALDH1A1FABP4NPC1MAPK1SLC2A1
SCHEMBL29409575 0.82 TTR (0.61) ALDH1A1MPLTSHRSMN1; SMN2
SCHEMBL703189 0.82 TTR (0.61) ALDH1A1MPLTSHRSMN1; SMN2
SCHEMBL639511 0.81 ALDH1A1 (0.55) ALDH1A1FABP4NPC1MAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230052586-A1 DISUBSTITUTED ALKYNE DERIVATIVES MERCK PATENT GMBH (DE) 2023-02-16 US claimed
EP-3898588-B1 DISUBSTITUTED ALKYNE DERIVATIVES MERCK PATENT GMBH (DE) 2023-01-11 EP claimed
EP-3898588-A1 DISUBSTITUTED ALKYNE DERIVATIVES Merck Patent GmbH (DE) 2021-10-27 EP claimed
WO-2020127960-A1 DISUBSTITUTED ALKYNE DERIVATIVES MERCK PATENT GMBH (DE) 2020-06-25 WO claimed
US-9206130-B2 Quinoline derivatives as AXL kinase inhibitors MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2015-12-08 US claimed
EP-2262772-B1 QUINOLINE DERIVATIVES AS AXL KINASE INHIBITORS MAX PLANCK GESELLSCHAFT (DE) 2012-07-18 EP claimed
EP-2262772-A1 QUINOLINE DERIVATIVES AS AXL KINASE INHIBITORS Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2010-12-22 EP claimed
WO-2009127417-A1 QUINOLINE DERIVATIVES AS AXL KINASE INHIBITORS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2009-10-22 WO claimed
US-20230052586-A1 DISUBSTITUTED ALKYNE DERIVATIVES MERCK PATENT GMBH (DE) 2023-02-16 US disclosed
EP-3898588-B1 DISUBSTITUTED ALKYNE DERIVATIVES MERCK PATENT GMBH (DE) 2023-01-11 EP disclosed
EP-3898588-A1 DISUBSTITUTED ALKYNE DERIVATIVES Merck Patent GmbH (DE) 2021-10-27 EP disclosed
WO-2020127960-A1 DISUBSTITUTED ALKYNE DERIVATIVES MERCK PATENT GMBH (DE) 2020-06-25 WO disclosed
US-9666436-B2 Ion implantation methods ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2017-05-30 US disclosed
US-9666436-B2 Ion implantation methods ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2017-05-30 US disclosed
WO-2003087226-A1 FILLER REINFORCED POLYETHER IMIDE RESIN COMPOSITION AND MOLDED ARTICLE THEREOF GENERAL ELECTRIC COMPAMY (US) 2003-10-23 WO disclosed
US-20030158309-A1 Flame retardant aromatic polycarbonate resin composition and molded articles thereof TEIJIN CHEMICALS LTD. (JP) 2003-08-21 US disclosed
US-5081001-A Blocked monomer and polymers therefrom for use as photoresists HOECHST CELANESE CORPORATION (US) 1992-01-14 US disclosed
EP-0453126-A2 Negative photoresist developable in aqueous base HOECHST CELANESE CORPORATION (US) 1991-10-23 EP disclosed
US-4962171-A Blocked monomer and polymers therefrom for use as photoresists HOECHST CELANESE CORPORATION (US) 1990-10-09 US disclosed
US-4810613-A Blocked monomer and polymers therefrom for use as photoresists HOECHST CELANESE CORPORATION (US) 1989-03-07 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-20230052586-A1 DISUBSTITUTED ALKYNE DERIVATIVES BRCA1, MYC, PCNA ALDH1A1 414/4885FABP4 2123/4885NPC1 446/4885

“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.