Sugi Predict

Sugi Predict / Compounds / SCHEMBL2111930

SCHEMBL2111930

SCHEMBL2111930

C[C@H](Oc1ccc(Cl)cc1B1OC(C)(C)C(C)(C)O1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.57
▸ HTR2A P28223 1/20 0.57
▸ HTR2C P28335 1/20 0.57
▸ HTR2B P41595 1/20 0.57
▸ PTGDR2 Q9Y5Y4 5/20 0.48
▸ PTGDR Q13258 1/20 0.48
▸ TRPM4 Q8TD43 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 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
SCHEMBL2110729 0.85 KMT2A (0.41) TSHRHTR2AHTR2CHTR2BPTGDR2
SCHEMBL2099452 0.84 AAK1 (0.43) TSHRHTR2AHTR2CHTR2BPTGDR2
SCHEMBL2111434 0.81 PTGDR2 (0.47) TSHRHTR2AHTR2CHTR2BPTGDR2
SCHEMBL24769274 0.80 EGFR (0.37) TSHRHTTALDH1A1GAASMN1; SMN2
SCHEMBL5892464 0.76 EGFR (0.47) TSHRKDM4EALDH1A1LMNAMAPK1
(R)-Dichlorprop SCHEMBL29725135 0.74 TSHR (0.73) TSHRHTR2AHTR2CHTR2BPTGDR2
(S)-Dichlorprop SCHEMBL29426455 0.74 TSHR (0.73) TSHRHTR2AHTR2CHTR2BPTGDR2
(R)-Dichlorprop SCHEMBL55175 0.74 TSHR (0.73) TSHRHTR2AHTR2CHTR2BPTGDR2
(S)-Dichlorprop SCHEMBL1535831 0.74 TSHR (0.73) TSHRHTR2AHTR2CHTR2BPTGDR2
Rac-Dichlorprop SCHEMBL54510 0.74 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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.