SCHEMBL14095976

SCHEMBL14095976

CCCCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
MAPT P10636 3/20 0.61
CYP1A2 P05177 1/20 0.61
GAA P10253 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.59
HPGD P15428 1/20 0.58
RECQL P46063 1/20 0.58
SIRT1 Q96EB6 10/20 0.57
SIRT2 Q8IXJ6 7/20 0.57
RNASEL Q05823 2/20 0.57
SIRT3 Q9NTG7 1/20 0.56

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
SCHEMBL14095980 0.88 ALDH1A1 (0.64) ALDH1A1MAPTCYP1A2GAACYP2C9
SCHEMBL14095965 0.88 ALDH1A1 (0.63) ALDH1A1MAPTCYP1A2GAACYP2C9
SCHEMBL4366220 0.87 MAPT (0.63) ALDH1A1MAPTCYP1A2GAACYP2C9
SCHEMBL14095985 0.87 KMT2A (0.64) ALDH1A1MAPTCYP1A2GAACYP2C9
SCHEMBL14137019 0.87 CYP1A2 (0.65) ALDH1A1MAPTCYP1A2GAACYP2C9
SCHEMBL13956729 0.84 MAPT (0.60) ALDH1A1MAPTCYP1A2GAACYP2C9
SCHEMBL4361509 0.83 HPGD (0.75) ALDH1A1MAPTCYP1A2GAACYP2C9
SCHEMBL14096555 0.83 SIRT1 (0.62) ALDH1A1MAPTGAASMN1; SMN2SIRT1
SCHEMBL12251325 0.83 ESR1 (0.68) ALDH1A1MAPTCYP1A2GAACYP2C9
SCHEMBL12067341 0.83 SIRT1 (0.71) ALDH1A1MAPTSMN1; SMN2HPGDSIRT1

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 ALDH1A1 2930/4885MAPT 4038/4885CYP1A2 1316/4885

“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.