SCHEMBL14095986

SCHEMBL14095986

CCCCCc1ccc(NC(=S)NC(=O)c2ccc(OC)c(C(F)(F)F)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 7/20 0.65
SIRT2 Q8IXJ6 6/20 0.53
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.49
MAPK1 P28482 1/20 0.49
ROCK2 O75116 1/20 0.49
KMT2A Q03164 2/20 0.48
SMPD1 P17405 1/20 0.48
HTT P42858 2/20 0.47
MAPT P10636 1/20 0.47
MEN1 O00255 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL16229388 0.89 SIRT1 (0.81) SIRT1SIRT2ALDH1A1KMT2AMAPT
SCHEMBL14095988 0.88 SIRT1 (0.64) SIRT1ALDH1A1LMNAMAPK1SMPD1
SCHEMBL4368732 0.87 SIRT1 (0.56) SIRT1SIRT2ALDH1A1LMNAMAPK1
SCHEMBL4363717 0.86 SIRT1 (0.55) SIRT1SIRT2ALDH1A1LMNAMAPK1
SCHEMBL4369732 0.82 SIRT2 (0.64) SIRT1SIRT2ALDH1A1LMNAMAPK1
Hydrochloric Acid SCHEMBL1707264 0.82 SIRT1 (0.66) SIRT1ALDH1A1LMNAMAPK1ROCK2
Hydrochloric Acid SCHEMBL1707261 0.82 SIRT1 (0.66) SIRT1ALDH1A1LMNAMAPK1ROCK2
SCHEMBL4363690 0.80 ALDH1A1 (0.63) SIRT1SIRT2ALDH1A1LMNAKMT2A
SCHEMBL17826591 0.80 SIRT1 (0.80) SIRT1SIRT2
SCHEMBL4362115 0.79 SIRT2 (0.60) SIRT1SIRT2ALDH1A1LMNAMAPK1

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 SIRT1 4376/4885SIRT2 4612/4885ALDH1A1 2930/4885

“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.