SCHEMBL13601697

SCHEMBL13601697

N#Cc1ccccc1-c1ccc(C(=O)O)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
TTR P02766 2/20 0.46
S1PR3 Q99500 1/20 0.46
EIF4E P06730 1/20 0.46
PTPRC P08575 2/20 0.45
SRD5A2 P31213 2/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
SRD5A1 P18405 1/20 0.43
MRGPRX4 Q96LA9 2/20 0.42

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
SCHEMBL14114868 0.87 TTR (0.51) TTRPTPRCSRD5A2POLBKMT2A
SCHEMBL31156109 0.86 TSHR (0.42) TSHRTTRS1PR3PTPRCMRGPRX4
SCHEMBL3927793 0.82 TSHR (0.59) TSHRTTRPTPRCSRD5A2POLB
SCHEMBL2043423 0.82 RORC (0.51) TTRPTPRCSRD5A2POLBKMT2A
SCHEMBL13601695 0.82 TTR (0.46) TSHRTTRPTPRCSRD5A2POLB
SCHEMBL2769863 0.80 TSHR (0.71) TSHRTTRPTPRCSRD5A2POLB
SCHEMBL14089938 0.79 ALDH1A1 (0.45) TTRPTPRCSRD5A2POLBKMT2A
SCHEMBL2744846 0.79 TTR (0.46) TSHRTTRPTPRCPOLBKMT2A
SCHEMBL17272798 0.79 TSHR (0.59) TSHRTTRS1PR3SRD5A2MRGPRX4
SCHEMBL14089994 0.78 CA12 (0.51) TSHRTTR

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-2772484-B1 BICYCLIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC (JP) 2017-06-28 EP disclosed
EP-2772484-B1 BICYCLIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC (JP) 2017-06-28 EP disclosed
CN-103917524-B Bicyclic heterocycles ASTELLAS PHARMA INC. (JP) 2016-05-04 CN disclosed
US-9266840-B2 Bicyclic heterocyclic compound ASTELLAS PHARMA INC. (JP) 2016-02-23 US disclosed
US-9266840-B2 Bicyclic heterocyclic compound ASTELLAS PHARMA INC. (JP) 2016-02-23 US disclosed
US-9266840-B2 Bicyclic heterocyclic compound ASTELLAS PHARMA INC. (JP) 2016-02-23 US disclosed
US-20140249151-A1 BICYCLIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2014-09-04 US disclosed
US-20140249151-A1 BICYCLIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2014-09-04 US disclosed
US-20140249151-A1 BICYCLIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2014-09-04 US disclosed
EP-2772484-A1 BICYCLIC HETEROCYCLIC COMPOUND Astellas Pharma Inc. (JP) 2014-09-03 EP disclosed
EP-2772484-A1 BICYCLIC HETEROCYCLIC COMPOUND Astellas Pharma Inc. (JP) 2014-09-03 EP disclosed
CN-103917524-A Bicyclic heterocyclic compound ASTELLAS PHARMA INC 2014-07-09 CN disclosed
US-20090298894-A1 AMINO ACID COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2009-12-03 US disclosed
US-20090298894-A1 AMINO ACID COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2009-12-03 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 (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-20140249151-A1 BICYCLIC HETEROCYCLIC COMPOUND HSD11B1, HSD17B11, HSD17B1 TSHR 4385/4885TTR 2500/4885S1PR3 3542/4885
US-20090298894-A1 AMINO ACID COMPOUNDS S1PR1, S1PR2, S1PR5 TSHR 957/4885TTR 2102/4885S1PR3 4/4885

“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.