SCHEMBL2004745

SCHEMBL2004745

COc1cc2c(CC(=O)O)c(C)n(Cc3ccc(Cl)c(Cl)c3)c2cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.60
CYP1A2 P05177 2/20 0.60
CYP3A4 P08684 2/20 0.60
CYP2C9 P11712 2/20 0.60
TSHR P16473 2/20 0.60
CYP2C19 P33261 2/20 0.60
PMP22 Q01453 2/20 0.60
MEN1 O00255 1/20 0.60
RGS12 O14924 1/20 0.60
ALDH1A1 P00352 1/20 0.60
MAPT P10636 1/20 0.60
PKM P14618 1/20 0.60
NFKB1 P19838 1/20 0.60
MAPK1 P28482 1/20 0.60
GNAI1 P63096 1/20 0.60
KMT2A Q03164 1/20 0.60
HIF1A Q16665 1/20 0.60
PTGS2 P35354 3/20 0.58
PTGDR2 Q9Y5Y4 3/20 0.58
PTGS1 P23219 1/20 0.58

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
SCHEMBL2003800 0.91 LMNA (0.71) LMNACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL5444206 0.91 LMNA (0.62) LMNACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL5446057 0.90 LMNA (0.61) LMNACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL5446385 0.90 LMNA (0.70) LMNACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL2460905 0.90 PLA2G2A (0.69) LMNACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL2004263 0.89 LMNA (0.70) LMNACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL2003782 0.89 PTGS2 (0.70) LMNACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL2005008 0.89 LMNA (0.59) LMNACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL2004519 0.88 PLA2G2A (0.61) LMNACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL2006850 0.87 PTGS2 (0.57) LMNACYP1A2CYP3A4CYP2C9TSHR

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
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed
US-20070203209-A1 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. 2007-08-30 US disclosed
US-20070203209-A1 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. 2007-08-30 US disclosed
WO-2007022501-A2 USEFUL INDOLE COMPOUNDS MICROBIA, INC. (US) 2007-02-22 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-20070203209-A1 Useful indole compounds TPH2, HRH2, HRH1 LMNA 4592/4885CYP1A2 672/4885CYP3A4 2655/4885

“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.