SCHEMBL15876277

SCHEMBL15876277

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
S1PR1 P21453 1/20 0.41
ATM Q13315 1/20 0.41
RIPK1 Q13546 1/20 0.40
RIPK3 Q9Y572 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
MAPT P10636 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 2/20 0.39
HPGD P15428 1/20 0.39
VSIR Q9H7M9 1/20 0.39
GAA P10253 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTPRC P08575 2/20 0.37

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
SCHEMBL17486450 0.94 POLB (0.41) MTNR1AMTNR1BS1PR1ATMRIPK1
SCHEMBL13662612 0.87 ATM (0.44) S1PR1ATMMAPTTDP1LMNA
SCHEMBL14205020 0.87 KMT2A (0.46) S1PR1ATMMAPTTDP1LMNA
SCHEMBL8421187 0.87 VSIR (0.44) S1PR1ATMMAPTTDP1LMNA
SCHEMBL6140645 0.86 S1PR1 (0.40) MTNR1AMTNR1BS1PR1ATMMAPT
SCHEMBL8139519 0.86 TPSAB1 (0.45) S1PR1ATMMAPTTDP1LMNA
SCHEMBL1227911 0.86 GAA (0.53) S1PR1MAPTLMNAGAASMN1; SMN2
SCHEMBL1109881 0.86 S1PR1 (0.42) S1PR1ATMMAPTTDP1LMNA
SCHEMBL13605089 0.86 ANPEP (0.50) GAACA1
SCHEMBL14238298 0.86 PYCR1 (0.44) S1PR1ATMMAPTLMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2975023-B1 GUANIDINOBENZOIC ACID ESTER COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-05-30 EP disclosed
CN-105051008-B Guanidinobenzoic acid ester compounds 武田药品工业株式会社 2018-05-29 CN disclosed
US-9969709-B2 Guanidinobenzoic acid ester compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-15 US disclosed
EP-2757093-B1 GUANIDINOBENZOIC ACID COMPOUND ASTELLAS PHARMA INC (JP) 2016-12-07 EP disclosed
CN-103796992-B Guanidinobenzoic acid compound ASTELLAS PHARMA INC. (JP) 2016-04-27 CN disclosed
US-20160031847-A1 GUANIDINOBENZOIC ACID ESTER COMPOUND ASTELLAS PHARMA INC. (JP) 2016-02-04 US disclosed
EP-2975023-A1 GUANIDINOBENZOIC ACID ESTER COMPOUND Astellas Pharma Inc. (JP) 2016-01-20 EP disclosed
US-9199927-B2 Guanidinobenzoic acid compound ASTELLAS PHARMA INC. (JP) 2015-12-01 US disclosed
US-9199927-B2 Guanidinobenzoic acid compound ASTELLAS PHARMA INC. (JP) 2015-12-01 US disclosed
CN-105051008-A Guanidinobenzoic acid ester compound ASTELLAS PHARMA INC 2015-11-11 CN disclosed
US-20140378459-A1 GUANIDINOBENZOIC ACID COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-25 US disclosed
US-20140378459-A1 GUANIDINOBENZOIC ACID COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-25 US disclosed
EP-2757093-A1 GUANIDINOBENZOIC ACID COMPOUND Astellas Pharma Inc. (JP) 2014-07-23 EP disclosed
CN-103796992-A Guanidinobenzoic acid compound ASTELLAS PHARMA INC 2014-05-14 CN 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 (2 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-20160031847-A1 GUANIDINOBENZOIC ACID ESTER COMPOUND SERPINB1, REN, SPINT2 MTNR1A 1136/4885MTNR1B 792/4885S1PR1 4327/4885
US-20140378459-A1 GUANIDINOBENZOIC ACID COMPOUND SERPINB1, REN, SPINT2 MTNR1A 925/4885MTNR1B 584/4885S1PR1 4443/4885

“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.