SCHEMBL21100951

SCHEMBL21100951

CCC(=O)N[C@@H](C)CCO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.45
POLB P06746 1/20 0.41
KMT2A Q03164 4/20 0.39
ACACB O00763 1/20 0.36
LMNA P02545 2/20 0.35
THRB P10828 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KCNK3 O14649 1/20 0.33
CNR2 P34972 1/20 0.33
BLM P54132 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PSMB5 P28074 1/20 0.33
HPGD P15428 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL16298854 0.84 POLB (0.55) CYP2C9POLBKMT2ALMNATHRB
SCHEMBL8848209 0.84 POLB (0.55) CYP2C9POLBKMT2ALMNATHRB
SCHEMBL14712883 0.81
SCHEMBL5091085 0.81
SCHEMBL8471343 0.81
SCHEMBL22774569 0.80 ALDH1A1 (0.39) CYP2C9POLBKMT2ALMNATHRB
SCHEMBL15961732 0.80 TAS1R3 (0.49) CYP2C9POLBKMT2ATHRBSMN1; SMN2
SCHEMBL15661185 0.80 ALDH1A1 (0.39) CYP2C9POLBKMT2ALMNATHRB
SCHEMBL12826931 0.80 CYP2C9 (0.43) CYP2C9POLBKMT2AACACBLMNA
SCHEMBL4501645 0.78 FAAH (0.47) CYP2C9POLBKMT2ATHRBMEN1

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-10329257-B2 Compositions and methods for treating tuberculosis THE BROAD INSTITUTE, INC. (US) 2019-06-25 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-10329257-B2 Compositions and methods for treating tuberculosis C5, IFNG, TERT CYP2C9 2484/4885POLB 595/4885KMT2A 3608/4885

“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.