SCHEMBL5561345

SCHEMBL5561345

CC[C@@H](C)C(C(=O)O)c1c(C)n(C(=O)c2cccc(F)c2)c2ccc(O)c(F)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.38
AKR1C2 P52895 3/20 0.38
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
TSHR P16473 2/20 0.35
HTT P42858 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
ELANE P08246 1/20 0.35
CYP2D6 P10635 1/20 0.34
PIK3CD O00329 1/20 0.33
KCNH2 Q12809 1/20 0.33
PLA2G7 Q13093 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
SCHEMBL5560372 1.00 AKR1C3 (0.38) AKR1C3AKR1C2LMNASMN1; SMN2HSD17B10
SCHEMBL6425560 1.00 AKR1C3 (0.38) AKR1C3AKR1C2LMNASMN1; SMN2HSD17B10
SCHEMBL6423624 1.00 AKR1C3 (0.38) AKR1C3AKR1C2LMNASMN1; SMN2HSD17B10
SCHEMBL6424956 1.00 AKR1C3 (0.38) AKR1C3AKR1C2LMNASMN1; SMN2HSD17B10
SCHEMBL6424731 0.91 POLB (0.38) AKR1C3AKR1C2MEN1KMT2AELANE
SCHEMBL6424417 0.91 POLB (0.38) AKR1C3AKR1C2MEN1KMT2AELANE
SCHEMBL6424419 0.91 POLB (0.38) AKR1C3AKR1C2MEN1KMT2AELANE
SCHEMBL6426974 0.91 POLB (0.38) AKR1C3AKR1C2MEN1KMT2AELANE
SCHEMBL6424728 0.91 POLB (0.38) AKR1C3AKR1C2MEN1KMT2AELANE
SCHEMBL6422844 0.90 AKR1C3 (0.39) AKR1C3AKR1C2LMNASMN1; SMN2HSD17B10

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 4 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
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 (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-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 AKR1C3 577/4885AKR1C2 563/4885LMNA 3613/4885

“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.