SCHEMBL2010331

SCHEMBL2010331

COc1cc2c(CC(=O)O)c(C)n(Cc3nc4ccccc4s3)c2cc1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.67
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
PLA2G2A P14555 3/20 0.48
PLA2G1B P04054 1/20 0.48
AKR1B1 P15121 11/20 0.48
MEN1 O00255 1/20 0.45
RGS12 O14924 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
PKM P14618 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
GNAI1 P63096 1/20 0.45

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
SCHEMBL2007317 0.89 PTGDR2 (0.73) PTGDR2PLA2G2APLA2G1BAKR1B1LMNA
SCHEMBL2006672 0.87 PTGDR2 (0.75) PTGDR2PLA2G2APLA2G1BAKR1B1PTGES
SCHEMBL2004539 0.86 PTGDR2 (0.70) PTGDR2PLA2G2APLA2G1BAKR1B1
SCHEMBL2000586 0.84 PTGDR2 (0.76) PTGDR2PTGS2PLA2G2APLA2G1BAKR1B1
SCHEMBL2002085 0.84 PTGDR2 (0.70) PTGDR2AKR1B1PTGESALOX5
SCHEMBL2001831 0.84 PTGDR2 (0.79) PTGDR2PLA2G2APLA2G1BAKR1B1MEN1
SCHEMBL27905712 0.84 PTGDR2 (0.49) PTGDR2PLA2G2AAKR1B1MEN1ALDH1A1
SCHEMBL2460905 0.83 PLA2G2A (0.69) PTGS1PTGS2PLA2G2APLA2G1BMEN1
SCHEMBL2000681 0.82 PTGDR2 (0.79) PTGDR2AKR1B1
SCHEMBL2005637 0.81 PTGDR2 (1.00) PTGDR2PLA2G2APLA2G1BAKR1B1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102850324-A Indole compounds MICROBIA INC 2013-01-02 CN disclosed
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 PTGDR2 28/4885PTGS1 159/4885PTGS2 67/4885

“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.