SCHEMBL6170599

SCHEMBL6170599

Cc1ccc(S(=O)(=O)n2cnc3ccc(C(=O)O)cc32)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.61
ALDH3A1 P30838 3/20 0.61
POLB P06746 1/20 0.61
NOD1 Q9Y239 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
LMNA P02545 5/20 0.51
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TSHR P16473 4/20 0.49
FGFR1 P11362 1/20 0.48
MAPK1 P28482 1/20 0.47
PTPN11 Q06124 1/20 0.46
HPGD P15428 2/20 0.45
GAA P10253 3/20 0.43
USP2 O75604 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
ALKBH2 Q6NS38 1/20 0.43

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
SCHEMBL6645475 0.90 HTT (0.61) HTTALDH3A1POLBNOD1L3MBTL1
SCHEMBL15074499 0.80 HTT (0.66) HTTALDH3A1POLBNOD1L3MBTL1
SCHEMBL19911331 0.80 HTT (0.69) HTTALDH3A1POLBNOD1L3MBTL1
SCHEMBL15999987 0.78 PPARG (0.68) HTTALDH3A1POLBNOD1L3MBTL1
SCHEMBL8329551 0.76 ALDH3A1 (1.00) HTTALDH3A1POLBNOD1L3MBTL1
SCHEMBL8652798 0.76 CPT1A (0.63) HTTLMNAALDH1A1MEN1KMT2A
SCHEMBL1553465 0.75 PDE4A (0.62) L3MBTL1ALDH1A1SMN1; SMN2PTPN11KDM4E
Hydrochloric Acid SCHEMBL8601366 0.74 PDE4A (0.61) L3MBTL1ALDH1A1SMN1; SMN2PTPN11KDM4E
SCHEMBL1780727 0.74 RAPGEF4 (0.74) HTTPOLBL3MBTL1LMNAALDH1A1
SCHEMBL12615971 0.73 L3MBTL1 (0.47) L3MBTL1LMNASMN1; SMN2PTPN11GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019045-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2005-06-08 EP disclosed
US-20030078431-A1 Antithrombotic agents BEIGHT DOUGLAS WADE (US) 2003-04-24 US disclosed
US-6500851-B2 ANTICOAGULANT IN MAMMLS ELI LILLY AND COMPANY 2002-12-31 US disclosed
US-20020173518-A1 Antithrombotic agents BEIGHT DOUGLAS WADE (US) 2002-11-21 US disclosed
EP-1019045-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2002-07-03 EP disclosed
US-6372759-B1 BLOOD COAGULATION FACTOR XA FOR MAMMALS ELI LILLY AND COMPANY 2002-04-16 US disclosed
EP-1019045-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-19 EP disclosed
WO-1999000128-A9 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 1999-08-05 WO disclosed
WO-1999000128-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 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 (2 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-20020173518-A1 Antithrombotic agents SERPINC1, TFPI, F11 HTT 3646/4885ALDH3A1 553/4885POLB 4312/4885
US-20030078431-A1 Antithrombotic agents SERPINC1, TFPI, F11 HTT 3646/4885ALDH3A1 553/4885POLB 4312/4885

“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.