SCHEMBL3382800

SCHEMBL3382800

CN1CCC([C@H](NC(=O)[C@@H]2SCCN2S(=O)(=O)c2ccc(-c3ccccc3F)cc2)c2ccccc2)CC1.CS(=O)(=O)O

nearest known ligand 0.46

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB known ✓ P27338 1/20 0.35
PTGFR P43088 1/20 0.46
HSD11B1 P28845 8/20 0.39
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
POLB P06746 1/20 0.35
KDM2B Q8NHM5 1/20 0.34
GRIA4 P48058 1/20 0.34
TP53 P04637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
WNT1 P04628 1/20 0.34
DYRK1A Q13627 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL3382805 0.98 PTGFR (0.47) PTGFRHSD11B1KDM1AMAOAMAOB
SCHEMBL3382777 0.98 PTGFR (0.47) PTGFRHSD11B1KDM1AMAOAMAOB
SCHEMBL3382806 0.86 PTGFR (0.46) PTGFRHSD11B1MMP2MMP9L3MBTL1
SCHEMBL3386001 0.80 PTGFR (0.55) PTGFRHSD11B1MMP2MMP9POLB
SCHEMBL3419080 0.80 PTGFR (0.48) PTGFRHSD11B1MMP2MMP9POLB
SCHEMBL3384874 0.80 PTGFR (0.59) PTGFRHSD11B1MMP2MMP9GRIA4
SCHEMBL24797003 0.80 PTGFR (0.45) PTGFRHSD11B1MMP2MMP9L3MBTL1
SCHEMBL3381698 0.79 PTGFR (0.47) PTGFRHSD11B1MMP2MMP9ALDH1A1
SCHEMBL3381702 0.79 PTGFR (0.47) PTGFRHSD11B1MMP2MMP9ALDH1A1
SCHEMBL3385846 0.77 PTGFR (0.46) PTGFRHSD11B1KDM2BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415480-B2 Thiazolidine carboxamide derivatives as modulators of the prostaglandin F receptor MERCK SERONO SA (CH) 2013-04-09 US disclosed
EP-1487442-B1 THIAZOLIDINE CARBOXAMIDE DERIVATIVES AS MODULATORS OF THE PROSTAGLANDIN F RECEPTOR MERCK SERONO SA (CH) 2010-12-01 EP disclosed
US-20090215749-A9 THIAZOLIDINE CARBOXAMIDE DERIVATIVES AS MODULATORS OF THE PROSTAGLANDIN F RECEPTOR LABORATOIRES SERONO S.A. (CH) 2009-08-27 US disclosed
US-20080255094-A1 THIAZOLIDINE CARBOXAMIDE DERIVATIVES AS MODULATORS OF THE PROSTAGLANDIN F RECEPTOR LABORATOIRES SERONO S.A. (CH) 2008-10-16 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-20090215749-A9 THIAZOLIDINE CARBOXAMIDE DERIVATIVES AS MODULATORS OF THE PROSTAGLANDIN F RECEPTOR PTGER4, PTGER2, PTGER1 MAOB 2113/4885PTGFR 9/4885HSD11B1 2095/4885
US-20080255094-A1 THIAZOLIDINE CARBOXAMIDE DERIVATIVES AS MODULATORS OF THE PROSTAGLANDIN F RECEPTOR PTGER4, PTGER2, PTGER1 MAOB 2113/4885PTGFR 9/4885HSD11B1 2095/4885

“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.