SCHEMBL2006287

SCHEMBL2006287

Cc1c(CC(=O)O)c2cc(Cl)ccc2n1Cc1cccc(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 12/20 0.66
PTGDR2 Q9Y5Y4 2/20 0.66
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 0.65

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
SCHEMBL2005221 0.91 PTGDR2 (0.66) PLA2G2APTGDR2LMNACYP1A2CYP3A4
SCHEMBL6025292 0.89 PLA2G2A (0.84) PLA2G2ALMNACYP1A2CYP3A4CYP2C9
SCHEMBL3006501 0.88 PTGDR2 (0.64) PLA2G2APTGDR2LMNACYP1A2CYP3A4
SCHEMBL2007815 0.88 LMNA (0.58) PLA2G2APTGDR2LMNACYP1A2CYP3A4
SCHEMBL8296288 0.86 PLA2G2A (0.64) PLA2G2APTGDR2LMNACYP1A2CYP3A4
SCHEMBL2009192 0.86 PTGDR2 (0.61) PLA2G2APTGDR2LMNACYP1A2CYP3A4
SCHEMBL8293141 0.86 PLA2G2A (0.83) PLA2G2A
SCHEMBL2006854 0.86 CYP2C9 (0.61) PLA2G2APTGDR2LMNACYP1A2CYP3A4
SCHEMBL2008284 0.86 PLA2G2A (0.67) PLA2G2APTGDR2LMNACYP1A2CYP3A4
SCHEMBL2996259 0.85 PTGDR2 (0.60) PLA2G2APTGDR2LMNACYP1A2CYP3A4

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 8 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
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
EP-1931632-A2 USEFUL INDOLE COMPOUNDS Microbia Inc. (US) 2008-06-18 EP 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 (3 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-20100197708-A1 INDOLE COMPOUNDS IDO1, IDO2, TPH2 PLA2G2A 3285/4885PTGDR2 68/4885LMNA 3450/4885
US-20070203209-A1 Useful indole compounds TPH2, HRH2, HRH1 PLA2G2A 486/4885PTGDR2 28/4885LMNA 4592/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT PLA2G2A 326/4885PTGDR2 157/4885LMNA 4536/4885

“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.