SCHEMBL2547004

SCHEMBL2547004

Cc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)ccn1-c1ccc(F)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR27 Q9NS67 2/20 0.51
AVPR2 P30518 1/20 0.51
NR3C2 P08235 6/20 0.50
ALDH1A1 P00352 2/20 0.45
CYP2C19 P33261 2/20 0.45
MEN1 O00255 1/20 0.45
PPARG P37231 1/20 0.45
KMT2A Q03164 1/20 0.45
NCOA2 Q15596 1/20 0.45
NCOA1 Q15788 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
MAPT P10636 4/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
SMO Q99835 1/20 0.41

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
SCHEMBL2549454 0.87 AVPR2 (0.48) GPR27AVPR2NR3C2ALDH1A1CYP2C19
SCHEMBL2544340 0.86 NR3C2 (0.52) GPR27AVPR2NR3C2ALDH1A1CYP2C19
SCHEMBL2549473 0.83 GPR27 (0.59) GPR27AVPR2NR3C2ALDH1A1CYP2C19
SCHEMBL2359867 0.81 NR3C2 (0.73) GPR27AVPR2NR3C2ALDH1A1CYP2C19
SCHEMBL2359184 0.81 NR3C2 (0.71) GPR27AVPR2NR3C2ALDH1A1CYP2C19
SCHEMBL2359373 0.79 NR3C2 (0.77) GPR27AVPR2NR3C2ALDH1A1CYP2C19
SCHEMBL2549479 0.76 NR3C2 (0.53) GPR27AVPR2NR3C2ALDH1A1LMNA
SCHEMBL2549470 0.76 NOTUM (0.49) AVPR2LMNA
SCHEMBL16457201 0.74 NR3C2 (0.58) GPR27AVPR2NR3C2ALDH1A1NPSR1
SCHEMBL2358814 0.74 NR3C2 (0.63) GPR27AVPR2NR3C2ALDH1A1CYP2C19

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-8642640-B2 1-phenylpyrrole derivatives EXELIXIS, INC. (US) 2014-02-04 US disclosed
US-20110263544-A1 1-Phenylpyrrole Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-10-27 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-20110263544-A1 1-Phenylpyrrole Derivatives REN, AGTR1, NR3C2 GPR27 637/4885AVPR2 22/4885NR3C2 3/4885

“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.