SCHEMBL5439155

SCHEMBL5439155

Cc1c(CC(=O)O)c2cc(O)c(Cl)cc2n1Cc1ccc(Cl)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.65
CYP1A2 P05177 2/20 0.65
CYP3A4 P08684 2/20 0.65
CYP2C9 P11712 2/20 0.65
TSHR P16473 2/20 0.65
CYP2C19 P33261 2/20 0.65
PMP22 Q01453 2/20 0.65
MEN1 O00255 1/20 0.65
RGS12 O14924 1/20 0.65
ALDH1A1 P00352 1/20 0.65
MAPT P10636 1/20 0.65
PKM P14618 1/20 0.65
NFKB1 P19838 1/20 0.65
MAPK1 P28482 1/20 0.65
GNAI1 P63096 1/20 0.65
KMT2A Q03164 1/20 0.65
HIF1A Q16665 1/20 0.65
PTGES O14684 1/20 0.62
ALOX5 P09917 1/20 0.62
PTGDR2 Q9Y5Y4 5/20 0.56

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
SCHEMBL5441051 0.93 LMNA (0.56) LMNACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL5438065 0.93 LMNA (0.56) LMNACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL5435406 0.92 PLA2G2A (0.63) LMNACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL5439170 0.91 LMNA (0.65) LMNACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL5444375 0.91 PTGS2 (0.65) LMNACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL3003631 0.90 LMNA (0.68) LMNACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL5437577 0.89 LMNA (0.70) LMNACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL5454133 0.88 LMNA (0.63) LMNACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL5447435 0.88 PTGDR2 (0.58) LMNACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL5444376 0.88 PTGDR2 (0.58) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 EP disclosed
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 US disclosed
US-20090118503-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. 2009-05-07 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
US-20070161698-A1 Modulators of CRTH2 Activity MICROBIA, INC. 2007-07-12 US disclosed
US-7205329-B2 Modulators of CRTH2 activity MICROBIA, INC. (US) 2007-04-17 US disclosed
WO-2007022501-A2 USEFUL INDOLE COMPOUNDS MICROBIA, INC. (US) 2007-02-22 WO disclosed
US-20060135591-A1 Modulators of CRTH2 activity IRONWOOD PHARMACEUTICALS, INC. 2006-06-22 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 (6 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-20060135591-A1 Modulators of CRTH2 activity HRH2, HRH1, MRGPRX2 LMNA 4458/4885CYP1A2 2697/4885CYP3A4 4306/4885
US-20070161698-A1 Modulators of CRTH2 Activity HRH2, HRH1, MRGPRX2 LMNA 4458/4885CYP1A2 2697/4885CYP3A4 4306/4885
US-20100197708-A1 INDOLE COMPOUNDS IDO1, IDO2, TPH2 LMNA 3450/4885CYP1A2 287/4885CYP3A4 374/4885
US-20070203209-A1 Useful indole compounds TPH2, HRH2, HRH1 LMNA 4592/4885CYP1A2 672/4885CYP3A4 2655/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT LMNA 4536/4885CYP1A2 360/4885CYP3A4 618/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 LMNA 4089/4885CYP1A2 302/4885CYP3A4 544/4885

“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.