SCHEMBL1679175

SCHEMBL1679175

CC(C(=O)O)c1ccc(Br)cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 12/20 0.51
PTGS2 P35354 12/20 0.51
APLNR P35414 4/20 0.47
DGAT1 O75907 1/20 0.44
FPR2 P25090 1/20 0.44
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP7 P09237 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42
MEN1 O00255 1/20 0.41
FABP2 P12104 1/20 0.41
TSHR P16473 1/20 0.41
AKR1C4 P17516 1/20 0.41
ADRA2B P18089 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR2C P28335 1/20 0.41
DRD3 P35462 1/20 0.41
AKR1C3 P42330 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
SCHEMBL27747528 0.87 APLNR (0.48) PTGS1PTGS2APLNRDGAT1FPR2
SCHEMBL18839300 0.84 DGAT1 (0.51) PTGS1PTGS2APLNRDGAT1FPR2
SCHEMBL14274718 0.83 APLNR (0.44) PTGS1PTGS2APLNRDGAT1FPR2
SCHEMBL19182930 0.81 PTGS1 (0.54) PTGS1PTGS2MEN1FABP2TSHR
SCHEMBL31117279 0.81 PTGS1 (0.54) PTGS1PTGS2MEN1FABP2TSHR
SCHEMBL19182931 0.81 PTGS1 (0.54) PTGS1PTGS2MEN1FABP2TSHR
SCHEMBL2130305 0.81 APLNR (0.50) PTGS1PTGS2APLNRDGAT1FPR2
SCHEMBL16219361 0.80 PTGS1 (0.52) PTGS1PTGS2MEN1FABP2TSHR
SCHEMBL16207512 0.80 PTGS2 (0.52) PTGS1PTGS2MEN1FABP2TSHR
SCHEMBL8157598 0.80 GRM1 (0.41) PTGS1PTGS2FPR2MEN1KMT2A

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-20120101039-A1 CALCIUM-SENSING RECEPTOR-ACTIVE COMPOUNDS LEO PHARMA A/S (DK) 2012-04-26 US disclosed
US-7923573-B2 Benzene compound having 2 or more substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-12 US disclosed
WO-2010136036-A2 CALCIUM-SENSING RECEPTOR-ACTIVE COMPOUNDS LEO PHARMA A/S (DK) 2010-12-02 WO 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-20120101039-A1 CALCIUM-SENSING RECEPTOR-ACTIVE COMPOUNDS CASR, CALCR, PTH1R PTGS1 584/4885PTGS2 958/4885APLNR 300/4885

“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.