SCHEMBL3483720

SCHEMBL3483720

O=P(O)(O)CNS(=O)(=O)c1nnc(-c2ccc(OCCCCl)cc2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.41
HDAC2 Q92769 7/20 0.41
HDAC6 Q9UBN7 4/20 0.40
RAB9A P51151 3/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
XIAP P98170 1/20 0.39
MMP2 P08253 3/20 0.38
MMP9 P14780 3/20 0.38
MMP13 P45452 3/20 0.38
KDM4E B2RXH2 3/20 0.37
NPC1 O15118 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MMP8 P22894 2/20 0.34
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
MMP7 P09237 1/20 0.34
MMP14 P50281 1/20 0.34
NR1H4 Q96RI1 1/20 0.34

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
SCHEMBL3484377 0.96 HDAC1 (0.39) HDAC1HDAC2HDAC6RAB9AMAPT
SCHEMBL3484165 0.85 RAB9A (0.41) HDAC1HDAC2HDAC6RAB9AMAPT
SCHEMBL16667223 0.85 ALDH1A1 (0.43) HDAC1HDAC2HDAC6RAB9AMAPT
SCHEMBL16667208 0.84 HDAC1 (0.39) HDAC1HDAC2HDAC6RAB9AMAPT
SCHEMBL3483306 0.81 KDM4E (0.39) HDAC1HDAC2HDAC6RAB9AMAPT
SCHEMBL16667227 0.81 HDAC1 (0.34) HDAC1HDAC2HDAC6RAB9AMAPT
SCHEMBL3483775 0.81 HDAC1 (0.48) HDAC1HDAC2HDAC6RAB9AMAPT
SCHEMBL3484166 0.81 RAB9A (0.41) HDAC1HDAC2HDAC6RAB9AMAPT
SCHEMBL16667211 0.80 HDAC1 (0.33) HDAC1HDAC2HDAC6RAB9AMAPT
SCHEMBL3483840 0.78 RAB9A (0.50) HDAC1HDAC2HDAC6RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049200-B1 NOVEL INHIBITORS OF BETA-LACTAMASE METHYLGENE INC (CA) 2015-04-29 EP disclosed
US-8440643-B2 Inhibitors of beta-lactamase METHYLGENE INC. (CA) 2013-05-14 US disclosed
US-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE METHYLGENE INC. 2010-11-04 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-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MGAM, MGAM2, PGLS HDAC1 739/4885HDAC2 917/4885HDAC6 1022/4885

“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.