SCHEMBL1690253

SCHEMBL1690253

C[C@H](Oc1ccc(C#N)cc1-c1ccc(Cl)cc1Cl)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
HTR2B P41595 1/20 0.53
PTGDR2 Q9Y5Y4 5/20 0.49
PTGDR Q13258 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 2/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 1/20 0.41
CYP1A2 P05177 1/20 0.41
GLA P06280 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX12 P18054 1/20 0.41
CYP2C19 P33261 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL1690326 0.81 TSHR (0.57) TSHRHTR2AHTR2CHTR2BPTGDR2
SCHEMBL1690335 0.80 PTGDR2 (0.71) TSHRHTR2AHTR2CHTR2BPTGDR2
Rac-Dichlorprop SCHEMBL9445889 0.78 TSHR (0.52) TSHRHTR2AHTR2CHTR2BPTGDR2
SCHEMBL4975670 0.78 PTGDR2 (0.51) TSHRHTR2AHTR2CHTR2BPTGDR2
(S)-Dichlorprop SCHEMBL1535831 0.77 TSHR (0.73) TSHRHTR2AHTR2CHTR2BPTGDR2
Rac-Dichlorprop SCHEMBL54510 0.77 TSHR (0.73) TSHRHTR2AHTR2CHTR2BPTGDR2
Rac-Dichlorprop SCHEMBL3017921 0.77 TSHR (0.73) TSHRHTR2AHTR2CHTR2BPTGDR2
(R)-Dichlorprop SCHEMBL29725135 0.77 TSHR (0.73) TSHRHTR2AHTR2CHTR2BPTGDR2
(S)-Dichlorprop SCHEMBL29426455 0.77 TSHR (0.73) TSHRHTR2AHTR2CHTR2BPTGDR2
(R)-Dichlorprop SCHEMBL55175 0.77 TSHR (0.73) TSHRHTR2AHTR2CHTR2BPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158820-B2 Compounds ASTRAZENECA AB (SE) 2012-04-17 US claimed
US-20110166117-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-07-07 US claimed
US-20060264435-A1 Novel compounds ASTRAZENECA AB (SE) 2006-11-23 US claimed
EP-1611091-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2006-01-04 EP claimed
WO-2004089885-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2004-10-21 WO claimed
EP-1611091-B1 Substituted phenylalkanoic acid derivatives and their use for respiratory disease treatment ASTRAZENECA AB (SE) 2014-10-29 EP disclosed
EP-1611091-B1 Substituted phenylalkanoic acid derivatives and their use for respiratory disease treatment ASTRAZENECA AB (SE) 2014-10-29 EP disclosed
US-8158820-B2 Compounds ASTRAZENECA AB (SE) 2012-04-17 US disclosed
US-8158820-B2 Compounds ASTRAZENECA AB (SE) 2012-04-17 US disclosed
US-8158820-B2 Compounds ASTRAZENECA AB (SE) 2012-04-17 US disclosed
US-20110166117-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-07-07 US disclosed
US-20110166117-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-07-07 US disclosed
US-20110166117-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-07-07 US disclosed
US-20060264435-A1 Novel compounds ASTRAZENECA AB (SE) 2006-11-23 US disclosed
EP-1611091-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2006-01-04 EP disclosed
WO-2004089885-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 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 (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-20110166117-A1 Novel Compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 TSHR 2760/4885HTR2A 207/4885HTR2C 119/4885
US-20060264435-A1 Novel compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 TSHR 2760/4885HTR2A 207/4885HTR2C 119/4885

“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.