SCHEMBL6764607

SCHEMBL6764607

CS(=O)(=O)c1ccc(C(=O)O)cc1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 1/20 0.58
KDM4E B2RXH2 9/20 0.48
GAA P10253 9/20 0.48
ALDH1A1 P00352 5/20 0.48
HPGD P15428 4/20 0.48
PKM P14618 2/20 0.48
MAPT P10636 5/20 0.47
THRB P10828 3/20 0.47
GFER P55789 2/20 0.47
HTT P42858 1/20 0.47
PLEC Q15149 1/20 0.47
NEU3 Q9UQ49 2/20 0.45
HSD17B10 Q99714 4/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
GLA P06280 1/20 0.44
RCE1 Q9Y256 1/20 0.44
POLB P06746 2/20 0.42
TDP1 Q9NUW8 2/20 0.42

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
SCHEMBL9195326 0.85 CDC25B (0.73) CDC25BKDM4EGAAALDH1A1HPGD
SCHEMBL9177276 0.83 CDC25B (0.59) CDC25BKDM4EGAAALDH1A1HPGD
SCHEMBL8075701 0.83 CDC25B (0.59) CDC25BKDM4EGAAALDH1A1HPGD
SCHEMBL29870405 0.83 CDC25B (0.59) CDC25BKDM4EGAAALDH1A1HPGD
SCHEMBL5405584 0.82 CDC25B (0.53) CDC25BKDM4EGAAPKMMAPT
SCHEMBL8441914 0.82 CDC25B (0.54) CDC25BKDM4EGAAALDH1A1HPGD
SCHEMBL9500692 0.82 CDC25B (0.54) CDC25BKDM4EGAAALDH1A1HPGD
SCHEMBL9436677 0.81 KDM4E (0.67) KDM4EGAAALDH1A1HPGDPKM
SCHEMBL2590708 0.79 L3MBTL1 (0.53) CDC25BALDH1A1PKMNEU3HSD17B10
SCHEMBL31325736 0.78 HTT (0.47) CDC25BKDM4EGAAPKMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040116399-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2004-06-17 US disclosed
US-6720317-B1 1-NAPHTH-2-YL-1H-PYRAZOLE-5-(4-AMIDINOPHENYL)CARBOXYAMIDE, MULTIPLY SUBSTITUTED; NON AMIDINO ANTICOAGULANTS; HEMOSTATIC AGENTS MILLENNIUM PHARMACEUTICALS, INC. 2004-04-13 US disclosed
US-6686368-B1 Inhibitors of factor Xa MILLENNIUM PAHRMACEUTICALS, INC. 2004-02-03 US disclosed
US-6632815-B2 Show selectivity for factor Xa versus other proteases of coagulation or the fibrinolytic cascades MILLENNIUM PHARMACEUTICALS, INC. 2003-10-14 US disclosed
EP-0931070-B1 HETAROYL CYCLOHEXANEDIONE DERIVATIVES WITH HERBICIDAL EFFECT BASF AG (DE) 2003-03-19 EP disclosed
US-6479436-B1 SUCH AS 2-(8-BROMOQUINOLIN-5-YL)CARBONYL-1,3-CYCLOHEXANEDIONE BASF AKTIENGESELLSCHAFT (DE) 2002-11-12 US disclosed
US-20020091116-A1 Show selectivity for factor Xa versus other proteases of coagulation or the fibrinolytic cascades MILLENNIUM PHARMACEUTICALS, INC. 2002-07-11 US disclosed
EP-1216231-A2 INHIBITORS OF FACTOR Xa Millennium Pharmaceuticals, Inc. (US) 2002-06-26 EP disclosed
US-6262074-B1 4-Hetaroylpyrazol derivatives and the use thereof as herbicides BASF AKTIENGESELLSCHAFT (DE) 2001-07-17 US disclosed
WO-2001019798-A2 INHIBITORS OF FACTOR Xa COR THERAPEUTICS INC. (US) 2001-03-22 WO disclosed
EP-0929546-A1 4-HETAROYLPYRAZOL DERIVATIVES AND THE USE THEREOF AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1999-07-21 EP disclosed
WO-1998012192-A1 4-HETAROYLPYRAZOL DERIVATIVES AND THE USE THEREOF AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-03-26 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-20020091116-A1 Show selectivity for factor Xa versus other proteases of coagulation or the fibrinolytic cascades SERPINC1, TFPI, F2 CDC25B 3701/4885KDM4E 3940/4885GAA 402/4885

“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.