SCHEMBL3044567

SCHEMBL3044567

CC(C)(C)OC(=O)Nc1ccc2cc(N(CP(=O)(O)O)S(=O)(=O)c3cc(Cl)cc(Cl)c3)ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 1/20 0.42
RORC P51449 7/20 0.38
LEF1 Q9UJU2 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 2/20 0.35
NR2F2 P24468 1/20 0.35
RAB9A P51151 1/20 0.35
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP13 P45452 1/20 0.34
ESRRG P62508 1/20 0.34
NR3C1 P04150 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
SCHEMBL2055339 0.89 KAT6A (0.40) KAT6ARORCMAPKAPK2MEN1KMT2A
SCHEMBL3277042 0.86 KAT6A (0.39) KAT6ARORCMAPKAPK2MEN1KMT2A
SCHEMBL3277045 0.85 KAT6A (0.43) KAT6ARORCLEF1MAPKAPK2NR2F2
SCHEMBL1754307 0.82 MAPT (0.46) MEN1KMT2AMAPTRAB9A
SCHEMBL1754449 0.79 MEN1 (0.45) MEN1KMT2AMAPTRAB9A
SCHEMBL2055471 0.78 S1PR1 (0.45) KAT6AMEN1KMT2ARAB9A
SCHEMBL12115551 0.76 MEN1 (0.43) KAT6AMEN1KMT2AMAPTRAB9A
SCHEMBL3058248 0.76 S1PR1 (0.38) NR3C1
SCHEMBL12116233 0.75 NPC1 (0.40) MEN1KMT2AMAPTRAB9A
SCHEMBL2055448 0.73 MAPT (0.42) MEN1KMT2AMAPTRAB9A

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-20100261677-A1 ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 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-20100261677-A1 ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS ARSA, SULT2A1, PMM2 KAT6A 2235/4885RORC 826/4885LEF1 883/4885

“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.