SCHEMBL7288707

SCHEMBL7288707

CC(C)C(NC(=O)OCc1ccccc1)C(=O)c1nc2ccccc2s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
CASP1 P29466 1/20 0.53
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
NPC1 O15118 1/20 0.48
HPGD P15428 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48

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
SCHEMBL7288698 1.00 ALOX15 (0.53) ALOX15TSHRCASP1CTSLCTSB
SCHEMBL13093588 0.89 TSHR (0.55) ALOX15TSHRCASP1CTSLCTSB
SCHEMBL7279115 0.84 ELANE (0.50) CAPN1ELANE
SCHEMBL13093577 0.83 HDAC3 (0.53) ALOX15TSHRCASP1CTSLCTSB
SCHEMBL13409458 0.83 CTSL (0.53) CTSLCTSBCTSSCTSKHDAC3
SCHEMBL13475728 0.83 CTSL (0.53) CTSLCTSBCTSSCTSKHDAC3
SCHEMBL19665722 0.79 HDAC3 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17646391 0.79 HDAC3 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6463431 0.79 CTSL (0.56) CTSLCTSBCTSSCTSKCAPN1
Hydrochloric Acid SCHEMBL17646379 0.79 HDAC3 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2

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-20100273835-A1 NOVEL COMPOUNDS PROBIODRUG AG (DE) 2010-10-28 US disclosed
US-20100273835-A1 NOVEL COMPOUNDS PROBIODRUG AG (DE) 2010-10-28 US disclosed
WO-2009007415-A2 NOVEL COMPOUNDS PROBIODRUG AG (DE) 2009-01-15 WO disclosed
EP-0291234-B1 Peptidic human leukocyte elastase (HLE) inhibitors ZENECA INC (US) 1994-03-23 EP disclosed
US-5164371-A HETEROCYCLIC KETONES ICI AMERICAS INC. (US) 1992-11-17 US disclosed
EP-0291234-A2 Peptidic human leukocyte elastase (HLE) inhibitors ZENECA INC. (US) 1988-11-17 EP 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-20100273835-A1 NOVEL COMPOUNDS IL6, PREP, PEPD ALOX15 1350/4885TSHR 3555/4885CASP1 341/4885

“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.