SCHEMBL617022

SCHEMBL617022

N#Cc1ccc2ccc(C(=O)O)cc2c1-c1c(F)cccc1F

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.45
PLA2G2D Q9UNK4 1/20 0.44
MRGPRX4 Q96LA9 2/20 0.42
SLC16A3 O15427 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
CNR2 P34972 1/20 0.39
RORC P51449 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2C Q14957 1/20 0.38
KDM1A O60341 1/20 0.38
PTPN1 P18031 1/20 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
SCHEMBL615006 0.91 MRGPRX4 (0.46) TTRPLA2G2DMRGPRX4SLC16A3RORC
SCHEMBL10064017 0.89 SLC22A12 (0.39) PLA2G2DMRGPRX4SLC16A3SLC22A12CNR2
SCHEMBL10064303 0.88 LMNA (0.45) MRGPRX4ALDH1A1HPGD
SCHEMBL10063691 0.87 CSNK2A2 (0.41) TTRPLA2G2DMRGPRX4SLC16A3SLC22A12
SCHEMBL10063756 0.87 SLC22A12 (0.48) PLA2G2DSLC22A12ALDH1A1HPGDKDM1A
SCHEMBL7920119 0.86 PLA2G2D (0.44) TTRPLA2G2DMRGPRX4SLC16A3SLC22A12
SCHEMBL618435 0.85 ALDH1A1 (0.40) ALDH1A1
SCHEMBL10064020 0.85 MRGPRX4 (0.39) PLA2G2DMRGPRX4SLC22A12CNR2ALDH1A1
SCHEMBL615319 0.83 HTR5A (0.53)
SCHEMBL10063771 0.82 SLC22A12 (0.44) SLC22A12ALDH1A1HPGDGRIN2DGRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120041036-A1 SUBSTITUTED ACYLGUANIDINE DERIVATIVES (AS AMENDED) ASTELLAS PHARMA INC. (JP) 2012-02-16 US disclosed
US-20120041036-A1 SUBSTITUTED ACYLGUANIDINE DERIVATIVES (AS AMENDED) ASTELLAS PHARMA INC. (JP) 2012-02-16 US disclosed
EP-2394988-A1 SUBSTITUTED ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-14 EP 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-20120041036-A1 SUBSTITUTED ACYLGUANIDINE DERIVATIVES (AS AMENDED) HTR5A, HTR2A, HTR1A TTR 2555/4885PLA2G2D 1120/4885MRGPRX4 2803/4885

“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.