SCHEMBL5430310

SCHEMBL5430310

C=C(C(=O)O)c1sc(Cc2ccc(Cl)cc2Cl)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBXA2R P21731 1/20 0.43
▸ PTGFR P43088 1/20 0.43
▸ PTGER3 P43115 1/20 0.43
▸ PTGER2 P43116 1/20 0.43
▸ PTGIR P43119 1/20 0.43
▸ PTGDR Q13258 1/20 0.43
▸ LMNA P02545 3/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ PMP22 Q01453 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ ATM Q13315 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ COPS5 Q92905 1/20 0.38
▸ PDPK1 O15530 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
SCHEMBL5436660 0.89 TBXA2R (0.47) TBXA2RPTGFRPTGER3PTGER2PTGIR
SCHEMBL14584120 0.76 MCL1 (0.45) HPGDKMT2ASMN1; SMN2MAPTMEN1
SCHEMBL5430305 0.75 TBXA2R (0.59) TBXA2RPTGFRPTGER3PTGER2PTGIR
SCHEMBL5430304 0.75 TBXA2R (0.59) TBXA2RPTGFRPTGER3PTGER2PTGIR
SCHEMBL5428044 0.73 TBXA2R (0.45) TBXA2RPTGFRPTGER3PTGER2PTGIR
SCHEMBL8517864 0.66 CYP1A2 (0.79) LMNANPSR1HTTCYP1A2CYP3A4
SCHEMBL6299718 0.65 FABP3 (0.43) TBXA2RPTGFRPTGER3PTGER2PTGIR
SCHEMBL8467565 0.65 TP53 (0.46) CYP1A2CYP3A4CYP2C9TSHRL3MBTL1
SCHEMBL5433065 0.65 LMNA (0.41) TBXA2RPTGFRPTGER3PTGER2PTGIR
SCHEMBL5434889 0.64 NPSR1 (0.46) TBXA2RPTGFRPTGER3PTGER2PTGIR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006015263-A2 LONIDAMINE ANALOGS THRESHOLD PHARMACEUTICALS, INC. (US) 2006-02-09 — — WO claimed
US-20070043057-A1 Lonidamine analogs THRESHOLD PHARMACEUTICALS, INC. (US) 2007-02-22 — — US disclosed
US-20070015771-A1 Lonidamine analogs THRESHOLD PHARMACEUTICALS, INC. (US) 2007-01-18 — — US disclosed
WO-2006015263-A2 LONIDAMINE ANALOGS THRESHOLD PHARMACEUTICALS, INC. (US) 2006-02-09 — — 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-20070015771-A1 Lonidamine analogs LONP1, LPXN, QDPR TBXA2R 745/4885PTGFR 936/4885PTGER3 773/4885
US-20070043057-A1 Lonidamine analogs LONP1, LPXN, QDPR TBXA2R 745/4885PTGFR 936/4885PTGER3 773/4885

“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.

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