SCHEMBL2998247

SCHEMBL2998247

COc1cccc(NC(=O)C(=O)c2c(C(F)(F)F)n(Cc3ccc(Cl)cc3)c3ccccc23)c1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.57
SMN1; SMN2 Q16637 3/20 0.52
TP53 P04637 2/20 0.50
RXFP1 Q9HBX9 1/20 0.50
FAAH O00519 1/20 0.47
HTT P42858 1/20 0.46
PTGER3 P43115 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 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
SCHEMBL3004516 0.93 MAPT (0.51) MAPTSMN1; SMN2TP53RXFP1FAAH
SCHEMBL3006244 0.93 MAPT (0.51) MAPTSMN1; SMN2TP53RXFP1FAAH
SCHEMBL3010325 0.91 MAPT (0.49) MAPTSMN1; SMN2TP53RXFP1FAAH
SCHEMBL3002650 0.91 FAAH (0.59) MAPTSMN1; SMN2TP53FAAHHTT
SCHEMBL2998998 0.90 P2RX4 (0.48) MAPTSMN1; SMN2FAAH
SCHEMBL2996357 0.89 MAPT (0.47) MAPTTP53FAAH
SCHEMBL2994830 0.89 FAAH (0.50) MAPTSMN1; SMN2FAAH
SCHEMBL3000280 0.89 PLA2G2A (0.49) MAPTFAAH
SCHEMBL2999400 0.88 PTGS2 (0.50) MAPTSMN1; SMN2TP53RXFP1FAAH
SCHEMBL2999877 0.88 MAPT (0.61) MAPTSMN1; SMN2TP53RXFP1FAAH

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 7 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
CN-102850324-A Indole compounds MICROBIA INC 2013-01-02 CN disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 US disclosed
US-20090118503-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. 2009-05-07 US disclosed
EP-2049520-A2 INDOLE COMPOUNDS Ironwood Pharmaceuticals, Inc. (US) 2009-04-22 EP disclosed
WO-2008019357-A2 INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-02-14 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 (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 MAPT 997/4885SMN1; SMN2 3581/4885TP53 2579/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 MAPT 2737/4885SMN1; SMN2 4055/4885TP53 4734/4885

“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.