SCHEMBL4895396

SCHEMBL4895396

CCC[CH]C(=O)NC(C)O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
CYP3A4 P08684 3/20 0.33
TSHR P16473 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.33
ASAH2 Q9NR71 1/20 0.33
FAAH O00519 2/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
PSMB5 P28074 1/20 0.31
GAA P10253 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL22616345 0.84 TSHR (0.48) TAS1R3TAS1R1CYP3A4TSHRALDH1A1
SCHEMBL4894902 0.82
SCHEMBL4889332 0.81 TAS1R3 (0.39) TAS1R3TAS1R1
SCHEMBL5206148 0.81 MMP1 (0.44) TAS1R3TAS1R1ALDH1A1MEN1KMT2A
SCHEMBL4894915 0.79 TAS1R3 (0.46) TAS1R3TAS1R1CYP3A4TSHR
SCHEMBL5209301 0.78 TAS1R3 (0.48) TAS1R3TAS1R1GAA
SCHEMBL5203991 0.78 TAS1R3 (0.37) TAS1R3TAS1R1FAAHCNR1CNR2
SCHEMBL5209568 0.76 TAS1R3 (0.36) TAS1R3TAS1R1ALDH1A1FAAHCNR1
SCHEMBL5208342 0.75 TAS1R3 (0.42) TAS1R3TAS1R1ALDH1A1
SCHEMBL5206485 0.72 MEN1 (0.47) TAS1R3TAS1R1TSHRALDH1A1ASAH2

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-20080194590-A1 4-Piperazinylthieno [2,3-D] Pyrimidine Compounds as Platelet Aggregation Inhibitors PFIZER INC 2008-08-14 US disclosed
EP-1869051-A1 4-PIPERAZINYLTHIENO Ý2,3-D¨PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2007-12-26 EP disclosed
WO-2006103545-A1 4-PIPERAZINYLTHIENO [2,3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-10-05 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-20080194590-A1 4-Piperazinylthieno [2,3-D] Pyrimidine Compounds as Platelet Aggregation Inhibitors PFKP, PF4, P2RY4 TAS1R3 2277/4885TAS1R1 3073/4885CYP3A4 294/4885

“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.