SCHEMBL2625030

SCHEMBL2625030

CC[C@H](NC(C)C)C(=O)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.32
▸ MMP1 P03956 1/20 0.30
▸ MMP2 P08253 1/20 0.30
▸ MMP3 P08254 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ TSHR P16473 1/20 0.30

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
SCHEMBL10166040 1.00 ALDH1A1 (0.35) ALDH1A1TDP1MMP1MMP2MMP3
SCHEMBL24221392 0.82 HDAC7 (0.35) TDP1TSHR
SCHEMBL10166039 0.82 HDAC7 (0.35) TDP1TSHR
SCHEMBL25777637 0.81 ALDH1A1 (0.31) ALDH1A1
SCHEMBL13213430 0.81 TGFBR1 (0.34) TDP1TSHR
SCHEMBL12766316 0.81 TGFBR1 (0.34) TDP1TSHR
SCHEMBL19361692 0.79 TDP1 (0.30) TDP1
SCHEMBL18932853 0.79 ALDH1A1 (0.32) ALDH1A1TDP1TSHR
SCHEMBL12766327 0.79 ALDH1A1 (0.44) ALDH1A1MMP2
SCHEMBL24494714 0.79 ACE (0.39) TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242586-A1 RAS INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-08-03 — — US disclosed
US-20220106361-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2022-04-07 — — US disclosed
US-9012603-B2 Peptides that block the binding of IgG to FcRn BIOGEN IDEC HEMOPHILIA INC. (US) 2015-04-21 — — US disclosed
US-8912146-B2 Derivatives of APF and methods of use UNIVERSITY OF MARYLAND, BALTIMORE (US) 2014-12-16 — — US disclosed
US-20120094933-A1 DERIVATIVES OF APF AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-04-19 — — US disclosed
US-20110059889-A1 PEPTIDES THAT BLOCK THE BINDING OF IgG TO FcRn SYNTONIX PHARMACEUTICALS, INC. 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 (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-20220106361-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF PAICS, CYCS, LSS ALDH1A1 2370/4885TDP1 2985/4885MMP1 2876/4885
US-20230242586-A1 RAS INHIBITORS AND USES THEREOF KRAS, NRAS, HRAS ALDH1A1 4073/4885TDP1 2509/4885MMP1 2093/4885
US-20110059889-A1 PEPTIDES THAT BLOCK THE BINDING OF IgG TO FcRn FCGRT, FCGR3B, FCGR1A ALDH1A1 4835/4885TDP1 4331/4885MMP1 3010/4885
US-20120094933-A1 DERIVATIVES OF APF AND METHODS OF USE APLNR, ETF1, VIP ALDH1A1 1595/4885TDP1 3052/4885MMP1 589/4885

“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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