SCHEMBL16355776

SCHEMBL16355776

CC(C)(C)OC(=O)CNCc1ccc(C(=O)OC(C)(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.46
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
ATM Q13315 1/20 0.42
PTPRC P08575 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
S1PR1 P21453 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CTNNB1 P35222 1/20 0.39
TCF7L2 Q9NQB0 1/20 0.39
SMO Q99835 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
MAPT P10636 2/20 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
SCHEMBL5190209 0.93 LMNA (0.59) LMNAHPGDSMN1; SMN2CA1CA2
SCHEMBL1243790 0.88 ALDH1A1 (0.51) LMNAHPGDSMN1; SMN2ATMKDM4E
SCHEMBL13662612 0.88 ATM (0.44) LMNAHPGDSMN1; SMN2CA1CA12
SCHEMBL16355751 0.85 CYP4A11 (0.41) LMNACA1CA2CA12CA9
SCHEMBL14205020 0.84 KMT2A (0.46) LMNAHPGDSMN1; SMN2ATMNPC1
SCHEMBL15876277 0.84 MTNR1A (0.42) LMNAHPGDSMN1; SMN2CA1CA12
SCHEMBL8421187 0.84 VSIR (0.44) LMNAHPGDCA1CA2ATM
SCHEMBL1109881 0.83 S1PR1 (0.42) LMNAHPGDCA1CA12CA14
SCHEMBL8139519 0.83 TPSAB1 (0.45) LMNAHPGDATMS1PR1LOXL2
SCHEMBL13605089 0.83 ANPEP (0.50) CA1CA2NPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9199927-B2 Guanidinobenzoic acid compound ASTELLAS PHARMA INC. (JP) 2015-12-01 US disclosed
US-20140378459-A1 GUANIDINOBENZOIC ACID COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-25 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-20140378459-A1 GUANIDINOBENZOIC ACID COMPOUND SERPINB1, REN, SPINT2 LMNA 1733/4885HPGD 497/4885SMN1; SMN2 1384/4885

“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.