Sugi Predict

Sugi Predict / Compounds / SCHEMBL4144874

SCHEMBL4144874

SCHEMBL4144874

CC(C)(C)OC(=O)NC(CCS(C)(=O)=O)c1nc2cc(Cl)ccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 3/20 0.47
▸ ALDH1A1 P00352 4/20 0.42
▸ LMNA P02545 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ GAA P10253 1/20 0.40
▸ OPRM1 P35372 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ CTDSP1 Q9GZU7 1/20 0.39
▸ HDAC3 O15379 2/20 0.39
▸ HDAC4 P56524 2/20 0.39
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC2 Q92769 2/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL1479853 0.86 AAK1 (0.48) AAK1ALDH1A1LMNASMN1; SMN2GAA
SCHEMBL2326825 0.86 AAK1 (0.48) AAK1ALDH1A1LMNASMN1; SMN2GAA
SCHEMBL2332614 0.86 AAK1 (0.51) AAK1ALDH1A1LMNASMN1; SMN2GAA
SCHEMBL1481829 0.86 AAK1 (0.51) AAK1ALDH1A1LMNASMN1; SMN2GAA
SCHEMBL4157800 0.85 ALDH1A1 (0.56) AAK1ALDH1A1LMNASMN1; SMN2GAA
SCHEMBL1479007 0.84 AAK1 (0.49) AAK1ALDH1A1LMNASMN1; SMN2GAA
SCHEMBL2332863 0.84 AAK1 (0.49) AAK1ALDH1A1LMNASMN1; SMN2GAA
SCHEMBL5097234 0.81 AAK1 (0.42) AAK1ALDH1A1LMNASMN1; SMN2GAA
SCHEMBL5103994 0.81 AAK1 (0.55) AAK1ALDH1A1LMNAOPRM1OPRD1
SCHEMBL28586691 0.80 AAK1 (0.46) AAK1LMNASMN1; SMN2TRPA1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-07-16 — — US disclosed
US-7429597-B2 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-09-30 — — US disclosed
US-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-09-09 — — 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 (2 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-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions F11, F12, F2 AAK1 3810/4885ALDH1A1 2355/4885LMNA 774/4885
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 AAK1 4457/4885ALDH1A1 3364/4885LMNA 323/4885

“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.