Sugi Predict

Sugi Predict / Compounds / SCHEMBL2116510

SCHEMBL2116510

SCHEMBL2116510

COC(=O)c1ccc2ccn(Cc3cccc(NC(=O)OC(C)(C)C)c3)c(=O)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.43
▸ TLR7 Q9NYK1 1/20 0.41
▸ PTGER3 P43115 6/20 0.41
▸ NPY1R P25929 1/20 0.41
▸ SIRT2 Q8IXJ6 1/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ RPS6KB1 P23443 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ APOBEC3A P31941 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ APOBEC3G Q9HC16 1/20 0.38
▸ RAB9A P51151 1/20 0.38

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
SCHEMBL2117468 0.85 LMNA (0.44) LMNAPTGER3IDO1KDM4EALDH1A1
SCHEMBL2118785 0.83 PKM (0.39) LMNA
SCHEMBL6168393 0.82 LMNA (0.46) LMNAKDM4EALDH1A1POLBHPGD
SCHEMBL2117651 0.81 MMP13 (0.48) LMNAIDO1KDM4EALDH1A1POLB
SCHEMBL25318036 0.81 LMNA (0.41) LMNATLR7PTGER3NPY1RSIRT2
SCHEMBL30550692 0.81 LMNA (0.41) LMNATLR7PTGER3NPY1RSIRT2
SCHEMBL2611535 0.80 PLAU (0.52) LMNAIDO1KDM4EALDH1A1MAPT
SCHEMBL2116294 0.80 IDO1 (0.44) LMNAIDO1KDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL2118697 0.79 PLAU (0.51) LMNAIDO1KDM4EALDH1A1MAPT
SCHEMBL2116372 0.77 IDO1 (0.46) LMNAIDO1KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-11 — — US disclosed
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-11 — — US disclosed
US-8765773-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 — — US disclosed
US-8765773-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 — — US disclosed
WO-2012054332-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-26 — — WO disclosed
US-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 — — US disclosed
US-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 — — 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-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 LMNA 1584/4885TLR7 1067/4885PTGER3 2967/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 LMNA 1584/4885TLR7 1067/4885PTGER3 2967/4885

“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.