SCHEMBL6370932

SCHEMBL6370932

NCc1cccc(NCC(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CFD P00746 2/20 0.53
CA12 O43570 8/20 0.51
CA1 P00915 8/20 0.51
CA2 P00918 8/20 0.51
CA4 P22748 8/20 0.51
CA9 Q16790 8/20 0.51
HTR6 P50406 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
AKR1C3 P42330 1/20 0.45

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
SCHEMBL7429470 0.88 LOXL2 (0.50) CFDCA12CA1CA2CA4
SCHEMBL19119342 0.85 LOXL2 (0.49) CFDCA12CA1CA2CA4
SCHEMBL4035874 0.83 CFD (0.51) CFDCA12CA1CA2CA9
SCHEMBL340537 0.83 AKR1C3 (0.55) CA12CA1CA2CA4CA9
SCHEMBL5289171 0.83 HPGD (0.54) CA12CA1CA2CA4CA9
SCHEMBL3814850 0.82 TPSAB1 (0.46) LOXL2CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL7427800 0.81 LOXL2 (0.49) CFDCA1CA2LOXL2
SCHEMBL10419779 0.80 NOS3 (0.60) CA12CA1CA2CA4CA9
SCHEMBL9181038 0.79 PGK1 (0.46) CA12CA1CA2CA4CA9
SCHEMBL3003205 0.79 CFD (0.59) CFDHTR6LOXL2CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-1483285-A1 INHIBITORS OF THE BLOOD-CLOTTING FACTOR Xa, PRODUCTION THEREOF AND USE OF THE SAME Curacyte AG (DE) 2004-12-08 EP disclosed
WO-2003076457-A1 INHIBITORS OF THE BLOOD-CLOTTING FACTOR Xa, PRODUCTION THEREOF AND USE OF THE SAME CURACYTE AG (DE) 2003-09-18 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 CFD 32/4885CA12 1608/4885CA1 2280/4885

“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.