SCHEMBL29437960

SCHEMBL29437960

CC(C)[C@H](N)C[C@@H](O)c1nc(C(=O)O)cs1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.36
PLA2G4A P47712 1/20 0.36
TLR7 Q9NYK1 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ACHE P22303 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
ABCB1 P08183 1/20 0.32

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
SCHEMBL29437959 1.00 L3MBTL1 (0.38) L3MBTL1ALDH1A1PLA2G4ATLR7HDAC1
SCHEMBL14983987 0.89 KDM1A (0.34) ALDH1A1TLR7HDAC1HDAC8HDAC6
SCHEMBL19389074 0.85 ABCB1 (0.39) ALDH1A1TLR7HDAC1HDAC8HDAC6
SCHEMBL12879880 0.85 ABCB1 (0.39) ALDH1A1TLR7HDAC1HDAC8HDAC6
Hydrochloric Acid SCHEMBL28631038 0.84 ABCB1 (0.38) ALDH1A1TLR7HDAC1HDAC8HDAC6
Hydrochloric Acid SCHEMBL28631036 0.84 ABCB1 (0.38) ALDH1A1TLR7HDAC1HDAC8HDAC6
SCHEMBL10042788 0.83 RAB9A (0.52) ALDH1A1KDM4EABCB1
Hydrochloric Acid SCHEMBL20529544 0.82 RAB9A (0.54) ALDH1A1KDM4EABCB1
Hydrochloric Acid SCHEMBL20529546 0.82 RAB9A (0.54) ALDH1A1KDM4EABCB1
SCHEMBL9415797 0.79 L3MBTL1 (0.44) L3MBTL1ALDH1A1PLA2G4ATLR7HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11518786-B2 Third generation tubulysin analogues and process of preparation thereof Indian Institute of Technology Indore (IN) 2022-12-06 US disclosed
US-20220056079-A1 THIRD GENERATION TUBULYSIN ANALOGUES AND PROCESS OF PREPARATION THEREOF Indian Institute of Technology Indore (IN) 2022-02-24 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-11518786-B2 Third generation tubulysin analogues and process of preparation thereof TEK, VIP, SCTR L3MBTL1 4150/4885ALDH1A1 4849/4885PLA2G4A 760/4885
US-20220056079-A1 THIRD GENERATION TUBULYSIN ANALOGUES AND PROCESS OF PREPARATION THEREOF TEK, VIP, SCTR L3MBTL1 4150/4885ALDH1A1 4849/4885PLA2G4A 760/4885

“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.