SCHEMBL14095958

SCHEMBL14095958

CC(C)(C)CC(=O)NC(=S)Nc1ccc(C2CCCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ CYP2C9 P11712 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ MITF O75030 1/20 0.49
▸ KLF5 Q13887 1/20 0.49
▸ HDAC3 O15379 1/20 0.49
▸ HDAC11 Q96DB2 1/20 0.49
▸ HDAC8 Q9BY41 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.48
▸ RORC P51449 1/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ DEGS1 O15121 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ GAA P10253 1/20 0.45

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
SCHEMBL4361375 0.84 HPGD (0.60) HPGDRAB9AKMT2AMITFKLF5
SCHEMBL13956735 0.78 POLB (0.51) HPGDRAB9AMITFKLF5ALDH1A1
SCHEMBL14095951 0.78 RAB9A (0.72) RAB9AKMT2AALDH1A1NPC1GAA
SCHEMBL4367820 0.76 ALDH1A1 (0.61) HPGDRAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL20589941 0.74 HDAC3 (0.50) HPGDRAB9AMITFKLF5HDAC3
SCHEMBL4542424 0.72 KMT2A (0.48) HPGDRAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL4542420 0.72 KMT2A (0.48) HPGDRAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL3822159 0.72 SLC18A3 (0.67) HPGDCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3428205 0.72 HDAC3 (0.53) HPGDRAB9ACYP3A4CYP2C9CYP2C19
SCHEMBL23453355 0.72 RAB9A (0.55) HPGDRAB9ACYP3A4CYP2C9CYP2C19

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 919/4885RAB9A 3144/4885CYP1A2 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.

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