SCHEMBL28639840

SCHEMBL28639840

CC(C)(C[C@@H](N)Cc1ccc(OCc2ccccc2)c([N+](=O)[O-])c1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSV O60911 4/20 0.48
CTSL P07711 4/20 0.48
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.44
ABCB1 P08183 1/20 0.43
PDCD1 Q15116 7/20 0.43
CD274 Q9NZQ7 7/20 0.43
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL22154560 1.00 CTSV (0.48) CTSVCTSLALDH1A1POLBABCB1
SCHEMBL22154802 0.92 MYC (0.45) CTSVCTSLALDH1A1POLBABCB1
Hydrochloric Acid SCHEMBL7036468 0.83 CTSV (0.50) CTSVCTSLALDH1A1POLBABCB1
Hydrochloric Acid SCHEMBL7036477 0.83 CTSV (0.50) CTSVCTSLALDH1A1POLBABCB1
SCHEMBL22154247 0.82 BCL2 (0.47) CTSVCTSLPDCD1CD274
SCHEMBL28642378 0.82 BCL2 (0.47) CTSVCTSLPDCD1CD274
SCHEMBL10410167 0.75 CTSV (0.59) CTSVCTSLALDH1A1POLBABCB1
SCHEMBL3599069 0.75 POLB (0.54) CTSVCTSLALDH1A1POLBABCB1
SCHEMBL28543611 0.75 CTSV (0.56) CTSVCTSLALDH1A1POLBABCB1
SCHEMBL4126272 0.75 CTSV (0.58) CTSVCTSLALDH1A1POLBABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12144864-B2 Tubulysins and protein-tubulysin conjugates REGENERON PHARMACEUTICALS, INC. (US) 2024-11-19 US disclosed
CN-118027137-A Tubulysin and protein-tubulysin conjugates 里珍纳龙药品有限公司 2024-05-14 CN disclosed
CN-113454097-A Tubulysins and protein-tubulysin conjugates 里珍纳龙药品有限公司 2021-09-28 CN 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 (1 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-12144864-B2 Tubulysins and protein-tubulysin conjugates SDCBP, TEK, TEKT1 CTSV 2759/4885CTSL 2986/4885ALDH1A1 4687/4885

“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.