SCHEMBL1283997

SCHEMBL1283997

CS(=O)(=O)OCCCCCBr

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.71
USP2 O75604 2/20 0.71
KDM4E B2RXH2 1/20 0.71
ALDH1A1 P00352 1/20 0.71
LMNA P02545 1/20 0.71
MMP9 P14780 1/20 0.71
ALOX15 P16050 1/20 0.71
CA1 P00915 16/20 0.42
CA2 P00918 16/20 0.42
CA9 Q16790 15/20 0.42
CA12 O43570 5/20 0.42
CA7 P43166 5/20 0.42
CA14 Q9ULX7 5/20 0.42
CA3 P07451 4/20 0.42
CA4 P22748 4/20 0.42
CA6 P23280 4/20 0.42
CA5A P35218 4/20 0.42
CA5B Q9Y2D0 4/20 0.42
RECQL P46063 2/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL29018669 1.00 TSHR (0.71) TSHRUSP2KDM4EALDH1A1LMNA
SCHEMBL11401918 1.00 TSHR (0.71) TSHRUSP2KDM4EALDH1A1LMNA
SCHEMBL1118535 0.98 TSHR (0.75) TSHRUSP2KDM4EALDH1A1LMNA
SCHEMBL1607175 0.90
SCHEMBL4954793 0.87 TSHR (0.94) TSHRUSP2KDM4EALDH1A1LMNA
SCHEMBL1335477 0.87 TSHR (0.94) TSHRUSP2KDM4EALDH1A1LMNA
SCHEMBL4298840 0.87 TSHR (0.94) TSHRUSP2KDM4EALDH1A1LMNA
SCHEMBL4952202 0.87 TSHR (0.94) TSHRUSP2KDM4EALDH1A1LMNA
SCHEMBL8592211 0.87 TSHR (0.94) TSHRUSP2KDM4EALDH1A1LMNA
SCHEMBL1931795 0.87 TSHR (0.94) TSHRUSP2KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA, INC. (US) 2012-04-12 US disclosed
EP-1482931-B1 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE TRANSTECH PHARMA INC (US) 2011-10-19 EP disclosed
US-20100256119-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2010-10-07 US disclosed
US-7737285-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-06-15 US disclosed
US-7714013-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-05-11 US disclosed
CN-101613321-A The list and the bicyclic pyrrole derivatives that suppress part and advanced glycation end product acceptor interaction TRANSTECH PHARMA INC 2009-12-30 CN disclosed
CN-101597262-A The list and the bicyclic pyrrole derivatives that suppress part and advanced glycation end product acceptor interaction TRANSTECH PHARMA INC (US) 2009-12-09 CN disclosed
CN-100525763-C Mono-and bicyclic pyrrole derivatives inhibiting ligand interaction with higher glycation end product receptors TRANSTECH PHARMA INC (US) 2009-08-12 CN disclosed
US-7361678-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2008-04-22 US disclosed
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-09-13 US disclosed
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-01-25 US disclosed
CN-1633290-A Mono-and bicyclic pyrrole derivatives inhibiting ligand interaction with higher glycation end product receptors TRANSTECH PHARMA INC (US) 2005-06-29 CN disclosed
EP-1482931-A2 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE Transtech Pharma, Inc. (US) 2004-12-08 EP disclosed
US-20040082542-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents VTV THERAPEUTICS LLC 2004-04-29 US disclosed
WO-2003075921-A2 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE TRANSTECH PHARMA, INC. (US) 2003-09-18 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 (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-20100256119-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B TSHR 3842/4885USP2 4446/4885KDM4E 4107/4885
US-20040082542-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B TSHR 3917/4885USP2 4405/4885KDM4E 3968/4885
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B TSHR 3767/4885USP2 4348/4885KDM4E 4138/4885
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS AGER, S100A4, S100B TSHR 3767/4885USP2 4348/4885KDM4E 4138/4885
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B TSHR 3767/4885USP2 4348/4885KDM4E 4138/4885

“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.