SCHEMBL4133307

SCHEMBL4133307

CCC(C(=O)O)C(F)(F)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 3/20 0.45
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
CES1 P23141 1/20 0.42
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.40
CYP1A2 P05177 1/20 0.40
TRPA1 O75762 2/20 0.40
CPB1 P15086 1/20 0.40
CPA3 P15088 1/20 0.40
CPB2 Q96IY4 1/20 0.40
PTPN1 P18031 1/20 0.39
POLB P06746 1/20 0.39
CHRM1 P11229 3/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38

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
SCHEMBL819687 0.81 TRPA1 (0.51) SMN1; SMN2HIF1ACYP2C9CYP2C19ALDH1A1
SCHEMBL8765451 0.79 SMN1; SMN2 (0.42) SMN1; SMN2HIF1ACYP2C9CYP2C19ALDH1A1
SCHEMBL1633683 0.78 CYP1A2 (0.44) SMN1; SMN2HIF1ACYP2C9CYP2C19ALDH1A1
Bromide SCHEMBL1634841 0.76 CYP1A2 (0.42) SMN1; SMN2HIF1ACYP2C9CYP2C19ALDH1A1
Butyric Acid SCHEMBL29700570 0.73 TRPA1 (0.44) SMN1; SMN2HIF1ACES1CYP2C9CYP2C19
SCHEMBL29293841 0.71 TRPA1 (0.47) TSHRCYP2C9CYP2C19CYP2D6CYP1A2
SCHEMBL3914609 0.71 CYP2D6 (0.33) TSHRCYP2C9CYP2C19CYP2D6CHRM1
SCHEMBL15619547 0.71 SMN1; SMN2 (0.44) CPA1TSHRSMN1; SMN2HIF1ACES1
Trifluoroacetic Acid SCHEMBL14738207 0.71 SMN1; SMN2 (0.49) CPA1TSHRSMN1; SMN2HIF1ACES1
SCHEMBL3632920 0.71 CYP1A2 (0.55) CPA1CES1CYP1A2CPB1CPA3

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-20090131384-A1 COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS SYNDEXA PHARMACEUTICALS CORPORATION (US) 2009-05-21 US disclosed
EP-2001897-A2 COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS Syndexa Pharmaceuticals Corporation (US) 2008-12-17 EP disclosed
WO-2007111994-A2 COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS SYNDEXA PHARMACEUTICALS CORPORATION (US) 2007-10-04 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-20090131384-A1 COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS NR1H3, NR1H2, SREBF1 CPA1 3589/4885TSHR 4546/4885SMN1; SMN2 4422/4885

“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.