SCHEMBL14096000

SCHEMBL14096000

CCCCCc1ccc(NC(=S)NC(=O)c2ccc3c(c2)OC(F)(F)O3)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 6/20 0.55
SIRT1 Q96EB6 6/20 0.55
MAPT P10636 5/20 0.48
ALDH1A1 P00352 5/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
LMNA P02545 2/20 0.48
ALOX12 P18054 1/20 0.48
MAPK1 P28482 2/20 0.47
STAT1 P42224 1/20 0.47
P2RX4 Q99571 3/20 0.46
P2RX5 Q93086 2/20 0.46
P2RX7 Q99572 2/20 0.46
P2RX2 Q9UBL9 2/20 0.46
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TAS2R8 Q9NYW2 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL4358758 0.78 SIRT2 (0.57) SIRT2SIRT1MAPTALDH1A1NPC1
SCHEMBL4369732 0.78 SIRT2 (0.64) SIRT2SIRT1ALDH1A1SMN1; SMN2LMNA
SCHEMBL4368732 0.77 SIRT1 (0.56) SIRT2SIRT1MAPTALDH1A1LMNA
Hydrochloric Acid SCHEMBL3718449 0.76 SIRT2 (0.67) SIRT2SIRT1MAPTALDH1A1TDP1
Hydrochloric Acid SCHEMBL3718452 0.76 SIRT2 (0.67) SIRT2SIRT1MAPTALDH1A1TDP1
SCHEMBL16229389 0.76 SIRT2 (0.86) SIRT2SIRT1MAPTALDH1A1TDP1
SCHEMBL2872153 0.76 SIRT2 (0.57) SIRT2SIRT1MAPTALDH1A1NPC1
SCHEMBL4363717 0.76 SIRT1 (0.55) SIRT2SIRT1MAPTALDH1A1SMN1; SMN2
SCHEMBL4363690 0.76 ALDH1A1 (0.63) SIRT2SIRT1MAPTALDH1A1TDP1
SCHEMBL3145014 0.75 SIRT2 (0.54) SIRT2SIRT1MAPTALDH1A1NPC1

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-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv ACHILLION PHARMACEUTICALS, INC. (US) 2008-08-28 US disclosed
US-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv ACHILLION PHARMACEUTICALS, INC. (US) 2008-08-28 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-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv RNASE1, SARS1, EIF2AK2 SIRT2 4612/4885SIRT1 4376/4885MAPT 4038/4885

“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.