SCHEMBL1370673

SCHEMBL1370673

Cc1ccc([S+]([O-])N2CCN(C)CC2)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.35
TSHR P16473 1/20 0.34
HTR1D P28221 2/20 0.32
HTR1B P28222 2/20 0.32
HTR2A P28223 2/20 0.32
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL1369721 0.86 HPGD (0.44) HPGDTSHR
SCHEMBL18828601 0.78 ALDH1A1 (0.44) HTR1DHTR1BHTR2AMAPTMAPK1
SCHEMBL14493081 0.74 ADRA2C (0.38) HTR2A
SCHEMBL14547446 0.71 MAPT (0.48) MAPTMAPK1
SCHEMBL22642960 0.71 HTR7 (0.34) TSHR
SCHEMBL1369544 0.70 HPGD (0.37) HPGDTSHRMAPT
SCHEMBL22759259 0.69 ALDH1A1 (0.34) HPGDTSHR
SCHEMBL18828660 0.68 CA2 (0.35) TSHR
SCHEMBL22860008 0.68 MC4R (0.39) HPGDHTR2AMAPT
SCHEMBL1370675 0.66 ALDH1A1 (0.58) TSHR

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-8273769-B2 Phenoxy acetic acid derivatives MERCK SERONO SA (CH) 2012-09-25 US disclosed
US-20110288066-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2011-11-24 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-20110288066-A1 PHENOXY ACETIC ACID DERIVATIVES HRH2, HRH1, HRH3 HPGD 266/4885TSHR 3579/4885HTR1D 2675/4885

“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.