SCHEMBL3943449

SCHEMBL3943449

COC(=O)CC(C(=O)c1ccc(SC)cc1)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
MAPT P10636 4/20 0.46
HTT P42858 1/20 0.46
ALOX5 P09917 1/20 0.39
PLK1 P53350 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
LMNA P02545 3/20 0.37
ATM Q13315 2/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 2/20 0.36
SLC6A9 P48067 1/20 0.36
SLC6A5 Q9Y345 1/20 0.36
MITF O75030 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL5781101 0.88 ALDH1A1 (0.40) ALDH1A1MAPTHTTALOX5TAS1R3
SCHEMBL3941374 0.87 L3MBTL1 (0.48) ALDH1A1MAPTPLK1TAS1R3TAS1R1
SCHEMBL3946297 0.87 LMNA (0.47) ALDH1A1MAPTHTTPLK1TAS1R3
SCHEMBL7085438 0.85 ATM (0.41) ALDH1A1MAPTALOX5PLK1TAS1R3
SCHEMBL5781164 0.85 ATM (0.41) ALDH1A1MAPTALOX5PLK1TAS1R3
SCHEMBL9735344 0.79 PLK1 (0.45) ALDH1A1MAPTHTTPLK1TAS1R3
SCHEMBL3943714 0.78 LMNA (0.49) ALDH1A1MAPTHTTLMNAGAA
SCHEMBL3942070 0.75 L3MBTL1 (0.45) ALDH1A1MAPTHTTLMNAKDM4E
SCHEMBL7087822 0.75 CES2 (0.50) ALDH1A1MAPTHTTALOX5PLK1
SCHEMBL8148223 0.75 CES2 (0.50) ALDH1A1MAPTHTTALOX5PLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270399-A1 NOVEL PYRIDAZINE DERIVATIVES AND MEDICINES CONTAINING THE SAME AS EFFECTIVE INGREDIENTS KOWA CO., LTD. (JP) 2009-10-29 US disclosed
EP-1043317-B1 PYRIDAZINE DERIVATIVES AND MEDICAMENTS CONTAINING THEM AS ACTIVE INGREDIENT KOWA CO (JP) 2009-04-15 EP disclosed
US-20090069332-A1 NOVEL PYRIDAZINE DERIVATIVES AND MEDICINES CONTAINING THE SAME AS EFFECTIVE INGREDIENTS KOWA CO., LTD. (JP) 2009-03-12 US disclosed
EP-2017266-A1 Pyridazine derivatives and medicines containing the same as effective ingredients Kowa Co., Ltd. (JP) 2009-01-21 EP disclosed
US-20080119474-A1 NOVEL PYRIDAZINE DERIVATIVES AND MEDICINES CONTAINING THE SAME AS EFFECTIVE INGREDIENTS KOWA CO., LTD. (JP) 2008-05-22 US disclosed
US-20070208025-A1 NOVEL PYRIDAZINE DERIVATIVES AND MEDICINES CONTAINING THE SAME AS EFFECTIVE INGREDIENTS KOWA CO., LTD. (JP) 2007-09-06 US disclosed
US-20070049595-A1 Novel pyridazine derivatives and medicines containing the same as effective ingredients KOWA CO., LTD. (JP) 2007-03-01 US disclosed
US-20060160804-A1 Novel pyridazine derivatives and medicines containing the same as effective ingredients KOWA CO., LTD. (JP) 2006-07-20 US disclosed
US-20050267113-A1 Novel pyridazine derivatives and medicines containing the same as effective ingredients KOWA CO., LTD. (JP) 2005-12-01 US disclosed
US-20050065155-A1 Novel pyridazine derivatives and medicines containing the same as effective ingredients KOWA CO., LTD. (JP) 2005-03-24 US disclosed
US-20040147516-A1 Novel pyridazine derivatives and medicines containing the same as effective ingredients KOWA CO., LTD. (JP) 2004-07-29 US disclosed
US-20020123496-A1 Novel pyridazine derivatives and medicines containing the same as effective ingredients KOWA CO., LTD. (JP) 2002-09-05 US disclosed
US-6348468-B1 THESE COMPOUNDS HAVE EXCELLENT INHIBITORY ACTIVITY AGAINST INTERLEUKIN-1.BETA. PRODUCTION, IMMUNE SYSTEM DISEASES, INFLAMMATORY DISEASES, ISCHEMIC DISEASES AND THE LIKE. KOWA CO., LTD. (JP) 2002-02-19 US disclosed
EP-1043317-A1 NOVEL PYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT Kowa Co., Ltd. (JP) 2000-10-11 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 (10 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-20070208025-A1 NOVEL PYRIDAZINE DERIVATIVES AND MEDICINES CONTAINING THE SAME AS EFFECTIVE INGREDIENTS IL1B, IL1R1, TLR1 ALDH1A1 626/4885MAPT 3181/4885HTT 3829/4885
US-20050267113-A1 Novel pyridazine derivatives and medicines containing the same as effective ingredients IL1B, IL1R1, IRAK1 ALDH1A1 461/4885MAPT 2556/4885HTT 3286/4885
US-20090270399-A1 NOVEL PYRIDAZINE DERIVATIVES AND MEDICINES CONTAINING THE SAME AS EFFECTIVE INGREDIENTS IL1B, IL1R1, TLR1 ALDH1A1 539/4885MAPT 3184/4885HTT 3839/4885
US-20050065155-A1 Novel pyridazine derivatives and medicines containing the same as effective ingredients IL1B, TLR1, IRAK1 ALDH1A1 464/4885MAPT 3306/4885HTT 4022/4885
US-20040147516-A1 Novel pyridazine derivatives and medicines containing the same as effective ingredients IL1B, IRAK1, TLR1 ALDH1A1 391/4885MAPT 3484/4885HTT 4076/4885
US-20070049595-A1 Novel pyridazine derivatives and medicines containing the same as effective ingredients IL1B, TLR1, IRAK1 ALDH1A1 464/4885MAPT 3306/4885HTT 4022/4885
US-20060160804-A1 Novel pyridazine derivatives and medicines containing the same as effective ingredients IL1B, TLR1, IRAK1 ALDH1A1 464/4885MAPT 3306/4885HTT 4022/4885
US-20090069332-A1 NOVEL PYRIDAZINE DERIVATIVES AND MEDICINES CONTAINING THE SAME AS EFFECTIVE INGREDIENTS IL1B, IL1R1, TLR1 ALDH1A1 539/4885MAPT 3184/4885HTT 3839/4885
US-20020123496-A1 Novel pyridazine derivatives and medicines containing the same as effective ingredients IL1B, IRAK1, TLR1 ALDH1A1 391/4885MAPT 3484/4885HTT 4076/4885
US-20080119474-A1 NOVEL PYRIDAZINE DERIVATIVES AND MEDICINES CONTAINING THE SAME AS EFFECTIVE INGREDIENTS IL1B, IL1R1, TLR1 ALDH1A1 626/4885MAPT 3181/4885HTT 3829/4885

“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.