SCHEMBL3766450

SCHEMBL3766450

N#CCn1c(C(=O)O)cc2sccc21

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.63
ABCB11 O95342 1/20 0.55
CCR9 P51686 1/20 0.54
MAPT P10636 6/20 0.46
KDM1A O60341 3/20 0.46
RCOR1 Q9UKL0 3/20 0.46
THRB P10828 1/20 0.46
TSHR P16473 5/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 2/20 0.44
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HPGD P15428 1/20 0.43
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TP53 P04637 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
SCHEMBL3756685 0.80 POLB (0.68) POLBABCB11CCR9MAPTKDM1A
SCHEMBL14975727 0.77 MAPT (0.74) POLBABCB11CCR9MAPTTHRB
SCHEMBL4109131 0.77 POLB (0.63) POLBABCB11CCR9MAPTKDM1A
SCHEMBL12583930 0.74 ABCB11 (0.79) POLBABCB11CCR9MAPTTHRB
SCHEMBL2400013 0.73 CCR2 (0.63) POLBTSHRALDH1A1L3MBTL1
SCHEMBL7673214 0.71 ABCB11 (1.00) POLBABCB11CCR9MAPTTHRB
SCHEMBL29843471 0.71 POLB (0.56) POLBABCB11CCR9MAPTKDM1A
SCHEMBL3766716 0.71 KDM1A (0.64) POLBCCR9MAPTKDM1ARCOR1
SCHEMBL28043181 0.71 CCR9 (0.44) CCR9
SCHEMBL3276177 0.70 POLB (0.54) POLBABCB11CCR9MAPTKDM1A

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-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using EXELIXIS, INC. (US) 2010-12-02 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-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using MTOR, RICTOR, RPTOR POLB 3160/4885ABCB11 282/4885CCR9 4731/4885

“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.