SCHEMBL251692

SCHEMBL251692

CC(=O)NC(CC(C)C)C(=O)NO

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.67
MMP2 P08253 2/20 0.53
MMP9 P14780 2/20 0.53
MMP8 P22894 2/20 0.53
ANPEP P15144 8/20 0.49

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
SCHEMBL23520330 0.85 ALDH1A1 (0.64) ALDH1A1MMP2MMP9MMP8
SCHEMBL14198796 0.85 ALDH1A1 (0.64) ALDH1A1MMP2MMP9MMP8
SCHEMBL15354479 0.82 ALDH1A1 (0.72) ALDH1A1
SCHEMBL13822102 0.82 ALDH1A1 (0.72) ALDH1A1
SCHEMBL8777100 0.82 ALDH1A1 (0.72) ALDH1A1
SCHEMBL5551895 0.82 ALDH1A1 (0.85) ALDH1A1
SCHEMBL5551897 0.82 ALDH1A1 (0.85) ALDH1A1
SCHEMBL17948650 0.82 ALDH1A1 (0.85) ALDH1A1
SCHEMBL14932683 0.80 ALDH1A1 (0.58) ALDH1A1MMP2MMP9MMP8
SCHEMBL30493601 0.80 ALDH1A1 (0.58) ALDH1A1MMP2MMP9MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140045943-A1 Hydroxamic Acid Derivatives, Preparation and Therapeutic Uses Thereof NAUREX, INC. (US) 2014-02-13 US claimed
US-20120004309-A1 Hydroxamic Acid Derivatives, Preparation and Therapeutic Uses Thereof KHAN AMIN (US) 2012-01-05 US claimed
WO-2010065709-A2 HYDROXAMIC ACID DERIVATIVES, PREPARATION AND THERAPEUTIC USES THEREOF KHAN AMIN (US) 2010-06-10 WO claimed
US-20230218638-A1 NEUROACTIVE COMPOUNDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2023-07-13 US disclosed
US-20230218638-A1 NEUROACTIVE COMPOUNDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2023-07-13 US disclosed
US-20230218638-A1 NEUROACTIVE COMPOUNDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2023-07-13 US disclosed
CN-112121171-A Neuroactive compounds and methods of use thereof 萨奇治疗股份有限公司 2020-12-25 CN disclosed
US-20170304321-A1 NEUROACTIVE COMPOUNDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS INC (US) 2017-10-26 US disclosed
US-20170304321-A1 NEUROACTIVE COMPOUNDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS INC (US) 2017-10-26 US disclosed
US-20170304321-A1 NEUROACTIVE COMPOUNDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS INC (US) 2017-10-26 US disclosed
EP-3204011-A1 NEUROACTIVE COMPOUNDS AND METHODS OF USE THEREOF Sage Therapeutics, Inc. (US) 2017-08-16 EP disclosed
WO-2016057713-A1 NEUROACTIVE COMPOUNDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. (US) 2016-04-14 WO disclosed
WO-2016057713-A1 NEUROACTIVE COMPOUNDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. (US) 2016-04-14 WO disclosed
US-20140045943-A1 Hydroxamic Acid Derivatives, Preparation and Therapeutic Uses Thereof NAUREX, INC. (US) 2014-02-13 US disclosed
US-20140045943-A1 Hydroxamic Acid Derivatives, Preparation and Therapeutic Uses Thereof NAUREX, INC. (US) 2014-02-13 US disclosed
US-20140045943-A1 Hydroxamic Acid Derivatives, Preparation and Therapeutic Uses Thereof NAUREX, INC. (US) 2014-02-13 US disclosed
US-20120004309-A1 Hydroxamic Acid Derivatives, Preparation and Therapeutic Uses Thereof KHAN AMIN (US) 2012-01-05 US disclosed
US-20120004309-A1 Hydroxamic Acid Derivatives, Preparation and Therapeutic Uses Thereof KHAN AMIN (US) 2012-01-05 US disclosed
WO-2010065709-A2 HYDROXAMIC ACID DERIVATIVES, PREPARATION AND THERAPEUTIC USES THEREOF KHAN AMIN (US) 2010-06-10 WO 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 (4 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-20120004309-A1 Hydroxamic Acid Derivatives, Preparation and Therapeutic Uses Thereof GLS, HGFAC, AADAC ALDH1A1 832/4885MMP2 133/4885MMP9 346/4885
US-20140045943-A1 Hydroxamic Acid Derivatives, Preparation and Therapeutic Uses Thereof GLS, HGFAC, AADAC ALDH1A1 832/4885MMP2 133/4885MMP9 346/4885
US-20230218638-A1 NEUROACTIVE COMPOUNDS AND METHODS OF USE THEREOF GRIN3B, GRIN2A, GRIN1 ALDH1A1 1946/4885MMP2 4785/4885MMP9 4726/4885
US-20170304321-A1 NEUROACTIVE COMPOUNDS AND METHODS OF USE THEREOF GRIN3B, GRIN2A, GRIN1 ALDH1A1 1946/4885MMP2 4785/4885MMP9 4726/4885

“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.