SCHEMBL6423406

SCHEMBL6423406

CC(=O)Oc1c(C)n(C(=O)c2cccs2)c2cc(F)c(O)cc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.37
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 2/20 0.37
GAA P10253 4/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 2/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
TSHR P16473 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 4/20 0.34
CACNA2D1 P54289 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL27789989 0.82 ALDH1A1 (0.34) ALDH1A1HSD17B10GAAKDM4EHTT
SCHEMBL5559414 0.81 LMNA (0.40) KMT2AALDH1A1HSD17B10GAAKDM4E
SCHEMBL27790155 0.81 DAO (0.35) HSD17B10GAAKDM4EHTTTP53
SCHEMBL5553811 0.80 MAPT (0.40) KMT2AALDH1A1HSD17B10GAAKDM4E
SCHEMBL5800049 0.79 KMT2A (0.37) KMT2AHSD17B10GAAKDM4EHTT
SCHEMBL27768461 0.79 KDM4E (0.31) HSD17B10GAAKDM4EHTTTP53
SCHEMBL2006156 0.79 AKR1C3 (0.45) KMT2AKDM4EMAPTRAB9ATSHR
SCHEMBL5558604 0.79 SRC (0.47) KMT2AALDH1A1HSD17B10KDM4ETSHR
SCHEMBL15062606 0.78 KDM4E (0.30) HSD17B10GAAKDM4EHTTTP53
SCHEMBL5560588 0.78 MAPT (0.39) KMT2AALDH1A1HSD17B10GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050234030-A1 Modulators of CRTH2, COX-2 and FAAH IRONWOOD PHARMACEUTICALS, INC. 2005-10-20 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 (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-20050234030-A1 Modulators of CRTH2, COX-2 and FAAH FAAH2, FAAH, PTGES2 KMT2A 2147/4885ALDH1A1 970/4885HSD17B10 1119/4885

“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.