Sugi Predict

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SCHEMBL19042

SCHEMBL19042

O=C(O)[C@H]1C[C@H]2CCC[C@H]2N1C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 6/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ USP2 O75604 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ HTR2C P28335 1/20 0.49
▸ CYP2C19 P33261 1/20 0.45
▸ AGTR2 P50052 4/20 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
SCHEMBL4848858 0.97 ACE (0.53) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL7339038 0.97 ACE (0.53) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL3843206 0.97 ACE (0.53) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL4799717 0.97 ACE (0.53) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL4842577 0.97 ACE (0.53) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9877388 0.91 FKBP1A (0.49) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9878033 0.91 FKBP1A (0.49) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL16276265 0.89 HTR2C (0.48) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL20791067 0.88 HTR2C (0.52) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL26397763 0.88 HTR2C (0.52) MEN1KMT2ASMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2013-09-05 — — US disclosed
US-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2013-09-05 — — US disclosed
US-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2013-09-05 — — US disclosed
EP-2609078-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES Novartis AG (CH) 2013-07-03 — — EP disclosed
WO-2012025164-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2012-03-01 — — WO disclosed
WO-2012025164-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2012-03-01 — — WO disclosed
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-10 — — US disclosed
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-10 — — US disclosed
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-10 — — 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-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES HDAC1, HDAC11, HDAC3 ACE 1690/4885MEN1 1407/4885KMT2A 132/4885
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases HDAC1, HDAC11, HDAC3 ACE 1922/4885MEN1 1566/4885KMT2A 119/4885

“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.