SCHEMBL1604902

SCHEMBL1604902

CC(OS(C)(=O)=O)c1c(F)cccc1F

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
GRIA4 P48058 4/20 0.35
SCN1A P35498 2/20 0.34
SCN5A Q14524 2/20 0.34
SCN8A Q9UQD0 2/20 0.34
PKM P14618 1/20 0.32
PKLR P30613 1/20 0.32
HTT P42858 1/20 0.32
LMNA P02545 2/20 0.32
CNR2 P34972 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
SCHEMBL1606089 0.81 ALDH1A1 (0.38) ALDH1A1
SCHEMBL6258207 0.79 MC4R (0.40) ALDH1A1CES2CES1SCN1ASCN5A
SCHEMBL4680942 0.79 CES2 (0.34) ALDH1A1CES2CES1GRIA4PKM
SCHEMBL9505367 0.75 ALDH1A1 (0.44) ALDH1A1
SCHEMBL9505376 0.75 ALDH1A1 (0.44) ALDH1A1
SCHEMBL18097466 0.75 PDE2A (0.36) ALDH1A1CNR2
SCHEMBL19717529 0.75 CES2 (0.39) ALDH1A1CES2CES1HTT
SCHEMBL17185881 0.75 ALDH1A1 (0.33) ALDH1A1CES2CES1GRIA4PKM
SCHEMBL2424084 0.74 MET (0.46)
SCHEMBL2424081 0.74 MET (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1622914-B1 NEW PIPERIDINYLAMINO-THIENO[2,3-D] PYRIMIDINE COMPOUNDS TROVIS PHARMACEUTICALS LLC (US) 2011-06-01 EP disclosed
US-20110082157-A1 Piperidinylamino-Thieno [2,3-D] Pyrimidine Compounds TROVIS PHARMACEUTICALS, LLC 2011-04-07 US disclosed
EP-1797099-B1 PIPERIDINYLAMINO-THIENO[2,3-D] PYRIMIDINE COMPOUNDS EPIX DELAWARE INC (US) 2010-08-11 EP disclosed
US-20100113485-A1 Piperidinylamino-thieno[2,3-D] Pyrimidine Compounds TROVIS PHARMACEUTICALS, LLC 2010-05-06 US disclosed
US-7612078-B2 Piperidinylamino-thieno[2,3-D] pyrimidine compounds EPIX DELAWARE, INC. (US) 2009-11-03 US disclosed
EP-1622914-A4 NEW PIPERIDINYLAMINO-THIENO 2,3-D PYRIMIDINE COMPOUNDS EPIX DELAWARE INC (US) 2008-03-12 EP disclosed
EP-1797099-A1 PIPERIDINYLAMINO-THIENO[2,3-D] PYRIMIDINE COMPOUNDS Epix Delaware, Inc. (US) 2007-06-20 EP disclosed
US-7030240-B2 5-HT receptor antagonist; [1-(2-Fluoro-benzyl)-piperidin-4-yl]-(5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-yl)-amine; treating vascular disorders, angina, migraine, pulmonary hypertension and systemic hypertension PREDIX PHARMACEUTICALS HOLDINGS, INC. (US) 2006-04-18 US disclosed
WO-2006034511-A1 PIPERIDINYLAMINO-THIENO[2,3-D] PYRIMIDINE COMPOUNDS EPIX DELAWARE, INC. (US) 2006-03-30 WO disclosed
EP-1622914-A2 NEW PIPERIDINYLAMINO-THIENO 2,3-D PYRIMIDINE COMPOUNDS Predix Pharmaceuticals Holdings, Inc. (US) 2006-02-08 EP disclosed
US-20050222175-A1 New piperidinylamino-thieno[2,3-D] pyrimidine compounds PGXHEALTH, LLC 2005-10-06 US disclosed
US-20050222176-A1 Piperidinylamino-thieno[2,3-D] pyrimidine compounds TROVIS PHARMACEUTICALS, LLC 2005-10-06 US disclosed
US-20040248904-A1 New piperidinylamino-thieno[2,3-d] pyrimidine compounds TROVIS PHARMACEUTICALS, LLC 2004-12-09 US disclosed
WO-2004089312-A2 NEW PIPERIDINYLAMINO-THIENO[2,3-D] PYRIMIDINE COMPOUNDS PREDIX PHARMACEUTICALS HOLDINGS, INC. (US) 2004-10-21 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 (5 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-20050222175-A1 New piperidinylamino-thieno[2,3-D] pyrimidine compounds HTR5A, HTR3A, HTR1A ALDH1A1 1234/4885CES2 3443/4885CES1 3494/4885
US-20040248904-A1 New piperidinylamino-thieno[2,3-d] pyrimidine compounds HTR5A, HTR2C, HTR1A ALDH1A1 1336/4885CES2 3320/4885CES1 3916/4885
US-20100113485-A1 Piperidinylamino-thieno[2,3-D] Pyrimidine Compounds HTR2B, HTR3B, HTR1B ALDH1A1 1583/4885CES2 4135/4885CES1 4245/4885
US-20050222176-A1 Piperidinylamino-thieno[2,3-D] pyrimidine compounds HTR2B, HTR3B, HTR1B ALDH1A1 1583/4885CES2 4135/4885CES1 4245/4885
US-20110082157-A1 Piperidinylamino-Thieno [2,3-D] Pyrimidine Compounds HTR5A, HTR3A, HTR1A ALDH1A1 1014/4885CES2 3216/4885CES1 3326/4885

“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.