SCHEMBL20280336

SCHEMBL20280336

CC(C)CNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.65
▸ MEN1 O00255 1/20 0.64
▸ ABL1 P00519 1/20 0.64
▸ LMNA P02545 1/20 0.64
▸ PKM P14618 1/20 0.64
▸ IDE P14735 1/20 0.64
▸ MAPK1 P28482 1/20 0.64
▸ KMT2A Q03164 1/20 0.64
▸ RIN1 Q13671 1/20 0.64
▸ L3MBTL1 Q9Y468 1/20 0.64
▸ CA12 O43570 6/20 0.58
▸ CA1 P00915 6/20 0.58
▸ CA2 P00918 6/20 0.58
▸ CA9 Q16790 6/20 0.58
▸ HLCS P50747 4/20 0.57
▸ CAPN1 P07384 2/20 0.57
▸ F2 P00734 1/20 0.56
▸ PRSS1 P07477 1/20 0.56
▸ PRSS2 P07478 1/20 0.56
▸ PRSS3 P35030 1/20 0.56

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
SCHEMBL19960776 1.00 TDP1 (0.65) TDP1MEN1ABL1LMNAPKM
SCHEMBL14523052 0.95 TDP1 (0.70) TDP1MEN1ABL1LMNAPKM
SCHEMBL12742901 0.92 TDP1 (0.64) TDP1MEN1ABL1LMNAPKM
SCHEMBL19427231 0.89 F2 (0.63) TDP1MEN1ABL1LMNAPKM
SCHEMBL19543512 0.89 TDP1 (0.71) TDP1MEN1ABL1LMNAPKM
SCHEMBL20369791 0.89 TDP1 (0.71) TDP1MEN1ABL1LMNAPKM
SCHEMBL12352865 0.89 TDP1 (0.71) TDP1MEN1ABL1LMNAPKM
SCHEMBL23430067 0.88 TDP1 (0.62) TDP1MEN1ABL1LMNAPKM
SCHEMBL24067575 0.88 TDP1 (0.76) TDP1MEN1ABL1LMNAPKM
SCHEMBL13609688 0.88 TDP1 (0.73) TDP1MEN1ABL1LMNAPKM

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-20200071351-A1 TACCALONOLIDE MICROTUBULE STABILIZERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-03-05 — — US disclosed
WO-2018112391-A1 TACCALONOLIDE MICROTUBULE STABILIZERS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-06-21 — — 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 (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-20200071351-A1 TACCALONOLIDE MICROTUBULE STABILIZERS MAP1LC3B, MAP1LC3A, MAP1LC3C TDP1 1422/4885MEN1 3367/4885ABL1 3147/4885

“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.

Send feedback