SCHEMBL5553952

SCHEMBL5553952

Cc1c([C@@H](C)C(=O)NCO)c2c(F)c(O)ccc2n1C(=O)c1cccc(F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
MAPT P10636 3/20 0.37
HPGD P15428 3/20 0.37
HTT P42858 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MEN1 O00255 2/20 0.37
NPC1 O15118 2/20 0.37
TSHR P16473 2/20 0.37
KMT2A Q03164 2/20 0.37
RAB9A P51151 1/20 0.37
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
LMNA P02545 3/20 0.35
KCNH2 Q12809 1/20 0.35
GPR139 Q6DWJ6 1/20 0.35
ELANE P08246 2/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL5553954 1.00 KDM4E (0.37) KDM4EMAPTHPGDHTTSMN1; SMN2
SCHEMBL5553788 0.93 AKR1C3 (0.39) KDM4EMAPTHPGDHTTSMN1; SMN2
SCHEMBL5553778 0.93 AKR1C3 (0.39) KDM4EMAPTHPGDHTTSMN1; SMN2
SCHEMBL5553782 0.93 AKR1C3 (0.39) KDM4EMAPTHPGDHTTSMN1; SMN2
SCHEMBL5559519 0.91 TRPV1 (0.37) MEN1KMT2AGPR139ELANE
SCHEMBL5559520 0.91 TRPV1 (0.37) MEN1KMT2AGPR139ELANE
SCHEMBL5559481 0.89 SMN1; SMN2 (0.36) KDM4EMAPTHPGDHTTSMN1; SMN2
SCHEMBL5559486 0.89 SMN1; SMN2 (0.36) KDM4EMAPTHPGDHTTSMN1; SMN2
SCHEMBL5808234 0.89 AKR1C3 (0.38) KDM4EMAPTHPGDHTTSMN1; SMN2
SCHEMBL5808237 0.89 AKR1C3 (0.38) KDM4EMAPTHPGDHTTSMN1; SMN2

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
EP-1643961-A4 COX-2 AND FAAH INHIBITORS MICROBIA INC (US) 2007-09-12 EP disclosed
EP-1643961-A2 COX-2 AND FAAH INHIBITORS Microbia, Inc. (US) 2006-04-12 EP disclosed
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. 2005-10-20 US disclosed
US-20050032747-A1 COX-2 and FAAH inhibitors POLYMER CONCEPTS TECHNOLOGIES PBY, INC. 2005-02-10 US disclosed
WO-2005002525-A2 COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2005-01-13 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-20050032747-A1 COX-2 and FAAH inhibitors FAAH2, FAAH, PTGS2 KDM4E 1786/4885MAPT 4214/4885HPGD 28/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 KDM4E 2209/4885MAPT 4401/4885HPGD 15/4885

“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.