SCHEMBL22461366

SCHEMBL22461366

CC(C)(C)CC(=O)Nc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(NC(=O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O)cc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 14/20 0.54
CA2 P00918 14/20 0.54
CA4 P22748 7/20 0.54
CA12 O43570 3/20 0.54
CA9 Q16790 3/20 0.54
RAB9A P51151 3/20 0.49
HPGD P15428 2/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
NR1H4 Q96RI1 2/20 0.45
CA7 P43166 1/20 0.44
CA14 Q9ULX7 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NPC1 O15118 1/20 0.43

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
SCHEMBL22461368 0.86 RAB9A (0.46) CA1CA2CA4CA12CA9
SCHEMBL15499792 0.81 CA1 (0.75) CA1CA2CA4CA12CA9
SCHEMBL22440670 0.80 RAB9A (0.60) CA1CA2RAB9AHPGDGAA
SCHEMBL22440671 0.80 RAB9A (0.60) CA1CA2RAB9AHPGDGAA
SCHEMBL22440676 0.80 RAB9A (0.60) CA1CA2RAB9AHPGDGAA
SCHEMBL6047699 0.80 CA1 (0.59) CA1CA2CA4CA12CA9
SCHEMBL22440674 0.77 MAPT (0.57) CA1CA2RAB9AHPGDGAA
SCHEMBL22440682 0.76 POLB (0.67) CA1CA2CA12CA9RAB9A
SCHEMBL4272357 0.75 CA1 (0.67) CA1CA2CA4CA12CA9
SCHEMBL4268752 0.75 CA1 (0.67) CA1CA2CA4CA12CA9

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-20200298194-A1 ARAMID AMPHIPHILE SELF-ASSEMBLED NANOSTRUCTURES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-09-24 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-20200298194-A1 ARAMID AMPHIPHILE SELF-ASSEMBLED NANOSTRUCTURES ANXA6, ANXA1, ANXA11 CA1 1888/4885CA2 3435/4885CA4 2562/4885

“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.