SCHEMBL14095955

SCHEMBL14095955

CCCCOC(=O)c1ccc(NC(=S)NC(=O)C(C)C)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.62
RECQL P46063 1/20 0.62
RNASEL Q05823 3/20 0.60
ALDH1A1 P00352 8/20 0.59
MAPT P10636 5/20 0.59
GAA P10253 3/20 0.59
CYP1A2 P05177 2/20 0.59
CYP2C19 P33261 2/20 0.59
CYP2C9 P11712 1/20 0.59
SMN1; SMN2 Q16637 7/20 0.57
NPC1 O15118 1/20 0.54
CASP1 P29466 1/20 0.54
RAB9A P51151 1/20 0.54
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
HTT P42858 1/20 0.52
LMNA P02545 1/20 0.51
ESR1 P03372 1/20 0.51
CYP2D6 P10635 1/20 0.51
TSHR P16473 1/20 0.51

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
SCHEMBL13956733 0.88 HPGD (0.59) HPGDRECQLRNASELALDH1A1MAPT
SCHEMBL4361509 0.86 HPGD (0.75) HPGDRECQLRNASELALDH1A1MAPT
SCHEMBL14095962 0.85 RNASEL (0.67) HPGDRECQLRNASELALDH1A1MAPT
SCHEMBL14096060 0.85 ALDH1A1 (0.53) HPGDRECQLRNASELALDH1A1MAPT
SCHEMBL14095954 0.84 HPGD (0.66) HPGDRECQLRNASELALDH1A1MAPT
SCHEMBL14095965 0.82 ALDH1A1 (0.63) HPGDRECQLRNASELALDH1A1MAPT
SCHEMBL14095980 0.82 ALDH1A1 (0.64) HPGDRECQLRNASELALDH1A1MAPT
SCHEMBL4359859 0.82 HPGD (0.67) HPGDRECQLRNASELALDH1A1MAPT
SCHEMBL3428262 0.82 HPGD (0.72) HPGDRECQLRNASELALDH1A1MAPT
SCHEMBL14096057 0.82 ALDH1A1 (0.53) HPGDRECQLRNASELALDH1A1MAPT

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 HPGD 919/4885RECQL 38/4885RNASEL 40/4885

“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.