SCHEMBL19728844

SCHEMBL19728844

O=CC(C=O)CNc1nccs1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.39
EPHX2 P34913 1/20 0.39
ACP1 P24666 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HTT P42858 1/20 0.37
PKM P14618 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RGS12 O14924 1/20 0.36
RAB9A P51151 1/20 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
SCHEMBL11922537 0.76 ADORA2A (0.43) FDPSSMN1; SMN2ALDH1A1PKMMEN1
SCHEMBL115952 0.76
SCHEMBL19736607 0.75 FDPS (0.41) FDPSSMN1; SMN2ACP1ALDH1A1PKM
Hydrochloric Acid SCHEMBL5847817 0.74 SMN1; SMN2 (0.41) FDPSSMN1; SMN2EPHX2ACP1ALDH1A1
SCHEMBL12193396 0.73 ADORA2A (0.39) FDPSSMN1; SMN2ALDH1A1PKMMEN1
SCHEMBL19468539 0.72 FDPS (0.58) FDPSSMN1; SMN2ACP1ALDH1A1MEN1
SCHEMBL622574 0.72 MEN1 (0.45) FDPSSMN1; SMN2ACP1ALDH1A1PKM
SCHEMBL19936029 0.70 ADORA2A (0.37) FDPSSMN1; SMN2ALDH1A1PKMMEN1
SCHEMBL6039575 0.69
SCHEMBL4580288 0.69

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-20170360811-A1 NOVEL BISPHOSPHONIC ACID DERIVATIVE AND APPLICATION FOR SAME NAGASAKI UNIVERSITY (JP) 2017-12-21 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-20170360811-A1 NOVEL BISPHOSPHONIC ACID DERIVATIVE AND APPLICATION FOR SAME BPGM, PMM2, PGM2 FDPS 2718/4885SMN1; SMN2 2586/4885EPHX2 2185/4885

“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.