SCHEMBL268502

SCHEMBL268502

CCN(CC)Cc1cccc(C(=O)Nc2ccc(Cl)cc2C(=O)O)c1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1C4 P17516 1/20 0.65
AKR1C3 P42330 1/20 0.65
AKR1C2 P52895 1/20 0.65
AKR1C1 Q04828 1/20 0.65
SERPINE1 P05121 10/20 0.62
ACHE P22303 1/20 0.57
F10 P00742 1/20 0.57
CA9 Q16790 3/20 0.55
CA2 P00918 2/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA7 P43166 1/20 0.54
GRIK1 P39086 1/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MEN1 O00255 1/20 0.52
GFER P55789 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL269119 0.89 F10 (0.55) AKR1C4AKR1C3AKR1C2AKR1C1SERPINE1
SCHEMBL274496 0.87 NPC1 (0.54) AKR1C4AKR1C3AKR1C2AKR1C1SERPINE1
SCHEMBL268333 0.86 ACHE (0.52) AKR1C4AKR1C3AKR1C2AKR1C1SERPINE1
SCHEMBL6351321 0.79 SERPINE1 (0.89) AKR1C4AKR1C3AKR1C2AKR1C1SERPINE1
SCHEMBL6348409 0.78 AKR1C4 (0.66) AKR1C4AKR1C3AKR1C2AKR1C1SERPINE1
SCHEMBL6352581 0.78 AKR1C4 (0.78) AKR1C4AKR1C3AKR1C2AKR1C1SERPINE1
SCHEMBL415869 0.77 SERPINE1 (1.00) AKR1C4AKR1C3AKR1C2AKR1C1SERPINE1
SCHEMBL6349319 0.77 SERPINE1 (0.85) AKR1C4AKR1C3AKR1C2AKR1C1SERPINE1
SCHEMBL265628 0.77 SLC34A2 (0.51) AKR1C4AKR1C3AKR1C2AKR1C1ACHE
SCHEMBL6346584 0.76 AKR1C2 (0.63) AKR1C4AKR1C3AKR1C2AKR1C1SERPINE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-05-10 US disclosed
US-8134015-B2 Compound inhibiting in vivo phosphorous transport and medicine containing the same KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-03-13 US disclosed
US-20060217426-A1 Compound inhibiting in vivo phosphorous transport and medicine containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-09-28 US disclosed
EP-1614676-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2006-01-11 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 (2 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-20060217426-A1 Compound inhibiting in vivo phosphorous transport and medicine containing the same SLC10A6, SLC7A1, SLC10A1 AKR1C4 551/4885AKR1C3 289/4885AKR1C2 386/4885
US-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME SLC34A1, SLC34A2, SLC20A2 AKR1C4 883/4885AKR1C3 461/4885AKR1C2 606/4885

“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.