SCHEMBL277979

SCHEMBL277979

COC(=O)c1cc(OCC2CO2)ccc1NC(=O)c1cccc(CN(CC(C)O)CC(C)O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.41
ALDH1A1 P00352 7/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
HPGD P15428 4/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 8/20 0.38
TP53 P04637 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
ACHE P22303 1/20 0.37
CYP3A4 P08684 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
TSHR P16473 5/20 0.36
RECQL P46063 1/20 0.36
GAA P10253 3/20 0.36
AKR1C2 P52895 2/20 0.36
AKR1C1 Q04828 2/20 0.36

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
SCHEMBL265420 0.83 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL267822 0.81 ABCB1 (0.49) KDM4ESMN1; SMN2RAB9ANPC1MAPT
SCHEMBL266202 0.80 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL267962 0.75 F10 (0.48) ALDH1A1SMN1; SMN2RAB9ANPC1TP53
SCHEMBL266264 0.73 ABCB1 (0.49) SMN1; SMN2RAB9ATSHR
SCHEMBL265916 0.71 NPC1 (0.42) KDM4EALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL269119 0.70 F10 (0.55) KDM4EALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL267004 0.70 KDR (0.44) KDM4EALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL268546 0.70 TSHR (0.44) KDM4EALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL10911834 0.70 ALDH1A1 (0.51) KDM4EALDH1A1SMN1; SMN2HPGDRAB9A

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 KDM4E 4468/4885ALDH1A1 3022/4885SMN1; SMN2 3975/4885
US-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME SLC34A1, SLC34A2, SLC20A2 KDM4E 4535/4885ALDH1A1 2872/4885SMN1; SMN2 4253/4885

“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.