SCHEMBL1998692

SCHEMBL1998692

Cc1c(CC(=O)O)c2cc(F)ccc2n1Cc1cccc(OC(F)(F)F)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.68
CYP2C9 P11712 3/20 0.61
LMNA P02545 2/20 0.61
CYP1A2 P05177 2/20 0.61
CYP3A4 P08684 2/20 0.61
TSHR P16473 2/20 0.61
CYP2C19 P33261 2/20 0.61
PMP22 Q01453 2/20 0.61
KDM4E B2RXH2 1/20 0.61
BLM P54132 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
PLA2G2A P14555 8/20 0.59
PLA2G1B P04054 1/20 0.59
MEN1 O00255 1/20 0.52
RGS12 O14924 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
PKM P14618 1/20 0.52
NFKB1 P19838 1/20 0.52
MAPK1 P28482 1/20 0.52

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
SCHEMBL2006980 0.93 PLA2G2A (0.68) PTGDR2CYP2C9LMNACYP1A2CYP3A4
SCHEMBL1997142 0.89 PLA2G2A (0.76) CYP2C9LMNACYP1A2CYP3A4TSHR
SCHEMBL2006854 0.89 CYP2C9 (0.61) PTGDR2CYP2C9LMNACYP1A2CYP3A4
SCHEMBL2004289 0.89 PLA2G2A (0.59) PTGDR2CYP2C9LMNACYP1A2CYP3A4
SCHEMBL2003968 0.88 PPARG (0.54) PTGDR2CYP2C9LMNACYP1A2CYP3A4
SCHEMBL4055835 0.86 PPARG (0.54) PTGDR2CYP2C9CYP1A2CYP2C19KDM4E
SCHEMBL2002573 0.86 PPARG (0.58) PTGDR2CYP2C9LMNACYP1A2CYP3A4
SCHEMBL3000306 0.86 PTGDR2 (0.68) PTGDR2CYP2C9LMNACYP1A2CYP3A4
SCHEMBL2008346 0.85 PPARG (0.51) PTGDR2CYP2C9LMNACYP1A2CYP3A4
SCHEMBL2001942 0.85 PPARG (0.56) PTGDR2CYP2C9LMNACYP1A2CYP3A4

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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 PTGDR2 68/4885CYP2C9 915/4885LMNA 3450/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT PTGDR2 157/4885CYP2C9 608/4885LMNA 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.