SCHEMBL18657116

SCHEMBL18657116

O=P(O)(O)C(O)NC1CCCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.47
ERAP2 Q6P179 2/20 0.47
MMP2 P08253 7/20 0.45
CA12 O43570 5/20 0.45
CA1 P00915 5/20 0.45
CA2 P00918 5/20 0.45
CA9 Q16790 5/20 0.45
MMP1 P03956 2/20 0.45
MMP8 P22894 2/20 0.45
MMP3 P08254 1/20 0.45
FDPS P14324 2/20 0.41
KDM4E B2RXH2 2/20 0.39
EPHX1 P07099 5/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
EPHX2 P34913 1/20 0.38

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
Incadronic Acid SCHEMBL223885 0.80 ANPEP (0.48) ANPEPERAP2MMP2CA12CA1
(Cyclohexylamino)Methylenediphosphonic Acid SCHEMBL8370913 0.80 ANPEP (0.48) ANPEPERAP2MMP2CA12CA1
(Cyclooctylamino)Methylenediphosphonic Acid SCHEMBL9777403 0.80 ANPEP (0.48) ANPEPERAP2MMP2CA12CA1
(Cyclopentylamino)Methylenediphosphonic Acid SCHEMBL9626232 0.77 ANPEP (0.46) ANPEPERAP2MMP2CA12CA1
Incadronic Acid SCHEMBL2898450 0.77 ANPEP (0.46) ANPEPERAP2MMP2CA12CA1
SCHEMBL15397148 0.77 MMP2 (0.46) ANPEPERAP2MMP2CA12CA1
(Cyclobutylamino)Methylenediphosphonic Acid SCHEMBL9626988 0.73 MMP2 (0.45) ANPEPERAP2MMP2CA12CA1
Incadronic Acid SCHEMBL2898447 0.71 ANPEP (0.41) ANPEPERAP2MMP2CA12CA1
Incadronic Acid SCHEMBL29355743 0.71 MMP2 (0.42) ANPEPERAP2MMP2CA12CA1
SCHEMBL27992126 0.71 KDM4E (0.48) KDM4EEPHX1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170079995-A1 DOSAGE FORMS FOR ORAL ADMINISTRATION OF ZOLEDRONIC ACID OR RELATED COMPOUNDS FOR TREATING DISEASE ANTECIP BIOVENTURES II LLC 2017-03-23 US 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-20170079995-A1 DOSAGE FORMS FOR ORAL ADMINISTRATION OF ZOLEDRONIC ACID OR RELATED COMPOUNDS FOR TREATING DISEASE SLC10A1, SOST, SLC10A6 ANPEP 3711/4885ERAP2 4458/4885MMP2 2542/4885

“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.