SCHEMBL12523151

SCHEMBL12523151

C=C1OB(c2ccc(C(=O)O)c(Cl)c2)OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MYC P01106 1/20 0.37
NR4A1 P22736 1/20 0.37
ALDH1A1 P00352 2/20 0.33
RXRA P19793 2/20 0.32
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32
TP53 P04637 1/20 0.31
NR1H4 Q96RI1 1/20 0.30
XDH P47989 1/20 0.30
LMNA P02545 1/20 0.30
AAK1 Q2M2I8 1/20 0.30
PDK2 Q15119 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
SCHEMBL1131421 0.80 TSHR (0.47) TSHRCASP1SMN1; SMN2MYCNR4A1
SCHEMBL13823401 0.80 KMT2A (0.42) TSHRSMN1; SMN2ALDH1A1TP53LMNA
SCHEMBL14009982 0.77 ALDH1A1 (0.31) ALDH1A1
SCHEMBL13270509 0.77 ALDH1A1 (0.35) TSHRCASP1SMN1; SMN2MYCALDH1A1
SCHEMBL13266638 0.77 JAK2 (0.30)
SCHEMBL13363837 0.76 CA12 (0.37) MYCNR4A1ALDH1A1RXRATP53
SCHEMBL14239303 0.76 TRPV4 (0.38)
SCHEMBL13474635 0.74 LPL (0.38)
SCHEMBL12846615 0.74 SMN1; SMN2 (0.34) SMN1; SMN2LMNA
SCHEMBL12510762 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines GlaxoSmithKline, LLC 2012-09-20 US 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-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines SGK1, SGK2, SGK3 TSHR 3659/4885CASP1 971/4885SMN1; SMN2 2724/4885

“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.