SCHEMBL3336638

SCHEMBL3336638

CC(=O)C(F)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.55
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ACP3 P15309 2/20 0.46
FFAR1 O14842 1/20 0.44
CYP1A2 P05177 1/20 0.42
GAA P10253 1/20 0.42
CYP2C9 P11712 1/20 0.42
PKM P14618 1/20 0.42
CYP2C19 P33261 1/20 0.42
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41
TP53 P04637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL13626301 0.87 SRC (0.46) L3MBTL1
SCHEMBL9980574 0.87 SRC (0.46) L3MBTL1
SCHEMBL11573233 0.83 PTGS2 (0.59) PTGS2MAPTSMN1; SMN2ACP3FFAR1
SCHEMBL17524311 0.78 PTGS2 (0.81) PTGS2MAPTSMN1; SMN2ACP3CYP1A2
SCHEMBL30785017 0.78 PTGS2 (0.57) PTGS2MAPTSMN1; SMN2ACP3FFAR1
SCHEMBL11729113 0.77 PTGS2 (0.47) PTGS2MAPTSMN1; SMN2FFAR1GAA
SCHEMBL6187748 0.76 PTGS2 (0.60) PTGS2MAPTSMN1; SMN2ACP3FFAR1
Acetic Acid SCHEMBL9809790 0.75 PTGS2 (0.64) PTGS2MAPTSMN1; SMN2ACP3FFAR1
SCHEMBL4558922 0.73 PTGS2 (0.52) PTGS2MAPTSMN1; SMN2FFAR1L3MBTL1
SCHEMBL12861259 0.73 PTGS2 (0.52) PTGS2MAPTSMN1; SMN2ACP3FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144678-A1 COMPOSITIONS AND METHODS FOR TREATING BONE CANCER THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2010-06-10 US disclosed
WO-2008124756-A1 COMPOSITIONS AND METHODS FOR TREATING BONE CANCER THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2008-10-16 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-20100144678-A1 COMPOSITIONS AND METHODS FOR TREATING BONE CANCER BDKRB1, BDKRB2, HPGDS PTGS2 87/4885MAPT 4116/4885SMN1; SMN2 4671/4885

“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.