SCHEMBL10192126

SCHEMBL10192126

CCN(CC)S(=O)(=O)Nc1cccc(C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 5/20 0.52
▸ MAPT P10636 4/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ LMNA P02545 5/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ CYP3A4 P08684 2/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ HPGD P15428 1/20 0.48
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.42
▸ XBP1 P17861 1/20 0.42
▸ PKM P14618 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
SCHEMBL14433200 0.81 HPGD (0.61) HTTMAPTALDH1A1LMNACYP3A4
SCHEMBL10532103 0.80 KEAP1 (0.52) HTTALDH1A1LMNAHPGDMEN1
SCHEMBL13294987 0.79 HPGD (0.63) MAPTALDH1A1LMNAHPGDMEN1
SCHEMBL10191952 0.79 HPGD (0.53) HTTMAPTALDH1A1NPSR1LMNA
SCHEMBL10192106 0.75 HPGD (0.49) HTTMAPTALDH1A1NPSR1LMNA
SCHEMBL10192115 0.75 SMN1; SMN2 (0.55) HTTMAPTALDH1A1LMNACYP3A4
SCHEMBL169803 0.74 KEAP1 (0.59) HTTMAPTALDH1A1LMNARAB9A
SCHEMBL6936465 0.74 HPGD (0.51) HTTMAPTALDH1A1NPSR1LMNA
SCHEMBL31539189 0.73 HPGD (0.54) HTTMAPTALDH1A1NPSR1LMNA
SCHEMBL14534371 0.73 CA1 (0.59) HTTMAPTALDH1A1NPSR1LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 — — US disclosed
US-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 — — US disclosed
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 — — US disclosed
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-11-18 — — 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 (3 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-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS HTT 3355/4885MAPT 4416/4885ALDH1A1 591/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS HTT 3147/4885MAPT 4477/4885ALDH1A1 1497/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS HTT 3147/4885MAPT 4477/4885ALDH1A1 1497/4885

“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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