SCHEMBL5753841

SCHEMBL5753841

CCC(C)C(=O)C(=O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.32
NAALAD2 Q9Y3Q0 2/20 0.32
GABRR1 P24046 2/20 0.32
CYP1A2 P05177 1/20 0.32
FFAR3 O14843 1/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
TP53 P04637 1/20 0.30
ACE2 Q9BYF1 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
SCHEMBL31346310 0.86 TSHR (0.37) FOLH1NAALAD2GABRR1CYP1A2TSHR
SCHEMBL43232 0.83
SCHEMBL8768172 0.83 FFAR3 (0.35) FOLH1NAALAD2GABRR1CYP1A2FFAR3
SCHEMBL188105 0.83
SCHEMBL3860250 0.83
SCHEMBL29396747 0.83 FFAR3 (0.35) FOLH1NAALAD2GABRR1CYP1A2FFAR3
SCHEMBL11607991 0.81 FOLH1 (0.33) FOLH1NAALAD2GABRR1CYP1A2FFAR3
SCHEMBL28015494 0.81 FOLH1 (0.33) FOLH1NAALAD2GABRR1CYP1A2FFAR3
SCHEMBL108300 0.80 TSHR (0.41) FOLH1NAALAD2GABRR1CYP1A2FFAR3
L-Lactic Acid SCHEMBL31285806 0.75 TP53 (0.52) FOLH1NAALAD2GABRR1CYP1A2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7141585-B2 Pyrazole derivatives AGOURON PHARMACEUTICALS, INC. (US) 2006-11-28 US disclosed
EP-1299361-B1 PYRAZOLE DERIVATIVES PFIZER LTD (GB) 2006-07-19 EP disclosed
US-20040209862-A1 Pyrazole derivatives PFIZER, INC. 2004-10-21 US disclosed
US-6750230-B2 use treating Human Immunodeficiency Virus (HIV) , or genetically related retroviral, infection or a resulting acquired immunodeficiency syndrome (AIDS); 2-[4-(3,5-dichlorobenzyl)-3,5-diethyl-1H-pyrazol-1-yl]ethanol for example; reverse transcriptase inhibitors PFIZER, INC. 2004-06-15 US disclosed
EP-1299361-A1 PYRAZOLE DERIVATIVES Pfizer Limited (GB) 2003-04-09 EP disclosed
WO-2002004424-A9 PYRAZOLE DERIVATIVES PFIZER LTD (GB) 2002-12-12 WO disclosed
US-20020032184-A1 Pyrazole derivatives PFIZER INC. 2002-03-14 US disclosed
WO-2002004424-A1 PYRAZOLE DERIVATIVES PFIZER LIMITED (GB) 2002-01-17 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 (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-20020032184-A1 Pyrazole derivatives POLRMT, TPMT, CYP3A43 FOLH1 2233/4885NAALAD2 2101/4885GABRR1 3409/4885
US-20040209862-A1 Pyrazole derivatives POLRMT, TPMT, CYP3A43 FOLH1 2233/4885NAALAD2 2101/4885GABRR1 3409/4885

“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.