SCHEMBL9921564

SCHEMBL9921564

CCCCOc1c(C(=O)NCC(=O)Cc2ccc(F)cc2)nc2n(c1=O)CC1CCC2(NC(=O)OCc2ccccc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
MAPT P10636 1/20 0.34
ABL1 P00519 1/20 0.33
RIN1 Q13671 1/20 0.33
RORC P51449 1/20 0.33
FAAH O00519 1/20 0.33
PRSS1 P07477 2/20 0.33
PRSS2 P07478 2/20 0.33
PRSS3 P35030 2/20 0.33
TPSAB1 Q15661 2/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
CNR2 P34972 2/20 0.32
RCE1 Q9Y256 1/20 0.31
CHRM4 P08173 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31

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
SCHEMBL14214192 0.93 ALDH1A1 (0.34) L3MBTL1MAPTABL1RIN1RORC
SCHEMBL9921582 0.91 TLR2 (0.34) TLR2L3MBTL1MAPTABL1RIN1
SCHEMBL9905089 0.87 CHRM4 (0.34) L3MBTL1MAPTALDH1A1HPGDCNR2
SCHEMBL9921626 0.86 TLR2 (0.36) TLR2L3MBTL1MAPTRORCALDH1A1
SCHEMBL9921566 0.86 CYP2C9 (0.34) FAAHCNR2
SCHEMBL9921561 0.85 TLR2 (0.38) TLR2L3MBTL1MAPTRORCALDH1A1
SCHEMBL16130199 0.85 CTSL (0.36) TLR2ABL1RIN1PRSS1PRSS2
SCHEMBL9905158 0.84 CYP2C9 (0.34) L3MBTL1MAPTALDH1A1RCE1CHRM4
SCHEMBL14214197 0.84 ALDH1A1 (0.34) MAPTABL1RIN1RORCALDH1A1
SCHEMBL16130200 0.83 TLR2 (0.38) TLR2L3MBTL1MAPTRORCALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846659-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-30 US disclosed
US-20120309745-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2012-12-06 US disclosed
WO-2012078844-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-14 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-20120309745-A1 HIV Integrase Inhibitors DNTT, POLB, UNG TLR2 4610/4885L3MBTL1 2276/4885MAPT 2585/4885

“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.