SCHEMBL4629763

SCHEMBL4629763

N=C(N)Nc1cccc(NCC(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.45
ITGA2B P08514 2/20 0.45
GPR35 Q9HC97 1/20 0.44
AKR1C3 P42330 1/20 0.43
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
ERCC1 P07992 1/20 0.41
ERCC4 Q92889 1/20 0.41
CA12 O43570 2/20 0.41
CA4 P22748 2/20 0.41
CA9 Q16790 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PARP1 P09874 1/20 0.40
PARP10 Q53GL7 1/20 0.40
LPAR1 Q92633 1/20 0.40

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
SCHEMBL340537 0.84 AKR1C3 (0.55) GPR35AKR1C3CA1CA2KCNK3
SCHEMBL2524064 0.83 ITGB3 (0.43) ITGB3ITGA2BCA1CA2MAPT
Hydrochloric Acid SCHEMBL6368863 0.81 PLA2G10 (0.46) ITGB3ITGA2BKCNK3KCNK9MAPT
Hydrochloric Acid SCHEMBL6773326 0.81 PLA2G10 (0.46) ITGB3ITGA2BKCNK3KCNK9MAPT
SCHEMBL4629361 0.81 ITGB3 (0.64) ITGB3ITGA2BAKR1C3KMT2A
SCHEMBL6366986 0.79 PLA2G10 (0.47) ITGB3ITGA2BKCNK3KCNK9MAPT
SCHEMBL4629121 0.79 CA12 (0.46) ITGB3ITGA2BCA1CA2ERCC1
Hydrochloric Acid SCHEMBL3839558 0.77 KMT2A (0.57) AKR1C3CA1CA2MEN1KMT2A
SCHEMBL11277128 0.77 AKR1C3 (0.57) ITGB3ITGA2BAKR1C3MEN1KMT2A
Hydrochloric Acid SCHEMBL29568124 0.77 KMT2A (0.57) AKR1C3CA1CA2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1483285-B1 INHIBITORS OF THE BLOOD-CLOTTING FACTOR Xa, PRODUCTION THEREOF AND USE OF THE SAME CURACYTE AG (DE) 2008-05-07 EP claimed
US-20050119190-A1 Inhibitors of the blood-clotting factor xa, production thereof and use of the same CURACYTE AG (DE) 2005-06-02 US claimed
EP-1483285-A1 INHIBITORS OF THE BLOOD-CLOTTING FACTOR Xa, PRODUCTION THEREOF AND USE OF THE SAME Curacyte AG (DE) 2004-12-08 EP claimed
WO-2003076457-A1 INHIBITORS OF THE BLOOD-CLOTTING FACTOR Xa, PRODUCTION THEREOF AND USE OF THE SAME CURACYTE AG (DE) 2003-09-18 WO claimed
EP-1483285-B1 INHIBITORS OF THE BLOOD-CLOTTING FACTOR Xa, PRODUCTION THEREOF AND USE OF THE SAME CURACYTE AG (DE) 2008-05-07 EP disclosed
US-20050119190-A1 Inhibitors of the blood-clotting factor xa, production thereof and use of the same CURACYTE AG (DE) 2005-06-02 US disclosed
US-6649593-B1 Amino acid derivatives including serine, leucine, valine, arginine, asparginine, methionine, glycine and phenylalanine units; S1 protease inhibition; modulation of cholesterol homeostasis in cells TULARIK INC. 2003-11-18 US disclosed
WO-2001027138-A2 MODULATORS OF SREBP PROCESSING TULARIK INC. (US) 2001-04-19 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-20050119190-A1 Inhibitors of the blood-clotting factor xa, production thereof and use of the same SERPINC1, TFPI, F11 ITGB3 1459/4885ITGA2B 795/4885GPR35 4231/4885

“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.