SCHEMBL267822

SCHEMBL267822

COC(=O)c1cc(OCC(O)CN2CCCCC2)ccc1NC(=O)c1cccc(CN(CC(C)O)CC(C)O)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 15/20 0.49
ACE2 Q9BYF1 1/20 0.44
RAB9A P51151 2/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
MAPK1 P28482 1/20 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
SCHEMBL266264 0.92 ABCB1 (0.49) ABCB1ACE2RAB9ATSHRHSD17B10
SCHEMBL268164 0.84 ABCB1 (0.41) ABCB1ACE2RAB9ATSHRHSD17B10
SCHEMBL268163 0.84 ABCB1 (0.41) ABCB1ACE2RAB9ATSHRHSD17B10
SCHEMBL277979 0.81 KDM4E (0.41) RAB9ATSHRSMN1; SMN2KDM4ENPC1
SCHEMBL274542 0.81 SLC34A2 (0.45) ABCB1
SCHEMBL266551 0.81 SLC34A2 (0.45) ABCB1
SCHEMBL266550 0.81 SLC34A2 (0.45) ABCB1
SCHEMBL265420 0.79 KDM4E (0.46) RAB9ATSHRHSD17B10SMN1; SMN2KDM4E
SCHEMBL269615 0.78 ABCB1 (0.40) ABCB1SMN1; SMN2KDM4EMAPTMAPK1
SCHEMBL269616 0.78 ABCB1 (0.40) ABCB1SMN1; SMN2KDM4EMAPTMAPK1

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 ABCB1 181/4885ACE2 2265/4885RAB9A 883/4885
US-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME SLC34A1, SLC34A2, SLC20A2 ABCB1 260/4885ACE2 2795/4885RAB9A 1362/4885

“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.