SCHEMBL68522

SCHEMBL68522

O=C(O)c1ccc2c(c1)Sc1ccc(C(=O)O)cc1S2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
TP53 P04637 1/20 0.50
CA12 O43570 4/20 0.48
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
CA6 P23280 4/20 0.48
CA9 Q16790 4/20 0.48
CA4 P22748 3/20 0.48
CA7 P43166 3/20 0.48
CA14 Q9ULX7 3/20 0.48
POLB P06746 2/20 0.48
GAA P10253 2/20 0.48
KDM4E B2RXH2 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MAPT P10636 2/20 0.48
PTGS2 P35354 1/20 0.48
ALDH1A1 P00352 2/20 0.46
HTT P42858 1/20 0.44
SRD5A2 P31213 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL12106079 1.00 TSHR (0.50) TSHRTP53CA12CA1CA2
Hydrochloric Acid SCHEMBL28973305 0.98 TSHR (0.48) TSHRTP53CA12CA1CA2
SCHEMBL30944690 0.94 PLEC (0.51) TSHRTP53CA12CA1CA2
SCHEMBL2639219 0.94 PLEC (0.51) TSHRTP53CA12CA1CA2
SCHEMBL31083639 0.85 KDM4E (0.53) TSHRTP53CA12CA1CA2
SCHEMBL31083661 0.85 KDM4E (0.53) TSHRTP53CA12CA1CA2
SCHEMBL31083574 0.83 RXRA (0.50) TSHRTP53CA12CA1CA2
SCHEMBL31083619 0.83 RXRA (0.50) TSHRTP53CA12CA1CA2
SCHEMBL8576654 0.80 PTPN1 (0.44) TSHRPOLBGAAKDM4EL3MBTL1
SCHEMBL2762768 0.80 RECQL (0.39) CA12CA1CA2CA6CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0856025-B1 CHOLESTERIC PHASE-FORMING POLYMERS AND THEIR USE CELANESE VENTURES GMBH (DE) 2003-01-15 EP claimed
WO-2024184503-A1 SULFUR-CONTAINING HETEROCYCLIC COMPOUNDS AND THERMOPLASTIC RESINS REUTER CHEMISCHE APPARATEBAU E.K. (DE) 2024-09-12 WO disclosed
CN-115850699-B Low-dielectric blended polyimide and preparation method and application thereof 江西有泽新材料科技有限公司 2024-04-26 CN disclosed
CN-115850699-A Low-dielectric blended polyimide, preparation method and application thereof 江西有泽新材料科技有限公司 2023-03-28 CN disclosed
EP-2479203-A1 AROMATIC POLYESTER Muroran Institute of Technology (JP) 2012-07-25 EP disclosed
US-20120172570-A1 AROMATIC POLYESTER NITTA CORPORATION 2012-07-05 US disclosed
US-8129493-B2 Aromatic polyester MURORAN INSTITUTE OF TECHNOLOGY (JP) 2012-03-06 US disclosed
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME MURORAN INSTITUTE OF TECHNOLOGY (JP) 2011-09-15 US disclosed
US-20110092662-A1 AROMATIC POLYESTER NITTA CORPORATION (JP) 2011-04-21 US disclosed
EP-0856025-B1 CHOLESTERIC PHASE-FORMING POLYMERS AND THEIR USE CELANESE VENTURES GMBH (DE) 2003-01-15 EP disclosed
US-6107447-A LIQUID CRYSTALLINE POLYMERS HOECHST RESEARCH TECHNOLOGY DEUTCHLAND GMBH & CO. KG (DE) 2000-08-22 US disclosed
EP-0856025-A1 CHOLESTERIC PHASE-FORMING POLYMERS, PROCESS FOR THEIR PREPARATION AND THEIR USE Hoechst Research & Technology Deutschland GmbH & Co. KG (DE) 1998-08-05 EP disclosed
WO-1997014739-A1 CHOLESTERIC PHASE-FORMING POLYMERS, PROCESS FOR THEIR PREPARATION AND THEIR USE HOECHST RESEARCH & TECHNOLOGY (DE) 1997-04-24 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 (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-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME F12, PHAX, WDR82 TSHR 3263/4885TP53 1492/4885CA12 1221/4885

“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.