SCHEMBL5899642

SCHEMBL5899642

Cc1ccc(S(=O)(=O)Nc2ccc(-c3cc(NC=O)c(Cl)nn3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
CASP1 P29466 1/20 0.49
NPY5R Q15761 4/20 0.47
KDM4E B2RXH2 5/20 0.47
GAA P10253 3/20 0.47
ALDH1A1 P00352 5/20 0.46
LMNA P02545 3/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ACR P10323 1/20 0.44
PGR P06401 1/20 0.43
HPGD P15428 3/20 0.43
PTPN2 P17706 2/20 0.43
PTPN1 P18031 2/20 0.43
PTPN5 P54829 2/20 0.43
HSPD1 P10809 1/20 0.43
HSPE1 P61604 1/20 0.43
GLA P06280 1/20 0.43
RORC P51449 1/20 0.43
ALOX12 P18054 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
SCHEMBL5899687 0.73 CASP1 (0.51) CASP1SMN1; SMN2
SCHEMBL5899743 0.72 CASP1 (0.49) MAPTCASP1ALDH1A1LMNAMEN1
SCHEMBL5899753 0.72 CASP1 (0.54) MAPTCASP1KDM4EALDH1A1LMNA
SCHEMBL5899723 0.71 CASP1 (0.50) CASP1LMNASMN1; SMN2PIK3CD
SCHEMBL5899797 0.71 CASP1 (0.55) MAPTCASP1ALDH1A1LMNAMEN1
SCHEMBL6727952 0.71 CASP1 (0.56) CASP1GAA
SCHEMBL2005010 0.70 CA12 (0.81) MAPTKDM4EGAAALDH1A1LMNA
SCHEMBL5899707 0.70 CASP1 (0.54) CASP1
SCHEMBL2136408 0.69 CES1 (0.81) MAPTGAAALDH1A1LMNAMEN1
SCHEMBL7585555 0.69 CES1 (0.81) MAPTGAAALDH1A1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040110725-A1 Pyridazines as interleukin-1beta converting enzyme inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2004-06-10 US claimed
US-6121266-A TREATMENT/PROPHYLAXIS OF INFLAMMATORY DISEASES, IMMUNE DISEASES, CANCER VERTEX PHARMACEUTICALS, INC. (US) 2000-09-19 US claimed
EP-0628550-B1 Pyridazines as interleukin-1beta converting enzyme inhibitors SANOFI SA (FR) 1998-02-25 EP claimed
EP-0628550-A2 Pyridazines as interleukin-1beta converting enzyme inhibitors STERLING WINTHROP INC. (US) 1994-12-14 EP claimed
US-6995261-B2 4-pyridazinecarboxamides and esters as interleukin-1β converting enzyme inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-02-07 US disclosed
US-20040110725-A1 Pyridazines as interleukin-1beta converting enzyme inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2004-06-10 US disclosed
US-6624166-B1 Pharmaceutical compositions containing the compounds; and a method for inhibiting interleukin-1 beta protease activity in a mammal utilizing the compounds and compositions for enzyme inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-09-23 US disclosed
US-6121266-A TREATMENT/PROPHYLAXIS OF INFLAMMATORY DISEASES, IMMUNE DISEASES, CANCER VERTEX PHARMACEUTICALS, INC. (US) 2000-09-19 US disclosed
EP-0628550-B1 Pyridazines as interleukin-1beta converting enzyme inhibitors SANOFI SA (FR) 1998-02-25 EP disclosed
EP-0628550-A2 Pyridazines as interleukin-1beta converting enzyme inhibitors STERLING WINTHROP INC. (US) 1994-12-14 EP 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-20040110725-A1 Pyridazines as interleukin-1beta converting enzyme inhibitors IL6ST, IL1RN, IL1R1 MAPT 4281/4885CASP1 117/4885NPY5R 282/4885

“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.