SCHEMBL24548383

SCHEMBL24548383

CC(C)(C)OC(=O)C(C#N)c1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.41
CTSS P25774 5/20 0.41
NPC1 O15118 1/20 0.38
RECQL P46063 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.38
ALOX5 P09917 1/20 0.37
AAK1 Q2M2I8 2/20 0.36
ALDH1A1 P00352 4/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL15268669 0.84 LMNA (0.44) CTSKCTSSSMN1; SMN2ALDH1A1NPSR1
SCHEMBL17203999 0.84 CTSS (0.35) CTSKCTSSNPC1RAB9ASMN1; SMN2
SCHEMBL15268630 0.84 CTSS (0.48) CTSKCTSSRECQLSMN1; SMN2AAK1
SCHEMBL26633408 0.82 CTSS (0.43) CTSKCTSSSMN1; SMN2AAK1ALDH1A1
SCHEMBL30771289 0.82 CYP1A2 (0.44) CTSKSMN1; SMN2CYP1A2ALOX5ALDH1A1
SCHEMBL31216659 0.80 APP (0.42) CTSKCTSSAAK1APP
SCHEMBL2761873 0.80 ALDH1A1 (0.46) NPC1CYP1A2ALDH1A1TSHRMAPT
SCHEMBL13700788 0.79 KMT2A (0.51) CTSKSMN1; SMN2CYP1A2ALOX5ALDH1A1
SCHEMBL17825658 0.79 CA12 (0.46) NPC1RECQLRAB9ASMN1; SMN2CYP1A2
SCHEMBL2440167 0.79 KMT2A (0.42) CTSKCTSSSMN1; SMN2AAK1ALDH1A1

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-20240124465-A1 MOLECULES AND METHODS RELATED TO TREATMENT OF DISORDERS ASSOCIATED WITH JAK-2 SIGNALING DYSFUNCTION ST. JUDE CHILDREN'S RESEARCH HOSPITAL 2024-04-18 US disclosed
WO-2022133285-A1 MOLECULES AND METHODS RELATED TO TREATMNET OF DISORDERS ASSOCIATED WITH JAK-2 SIGNALING DYSFUNCTION ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2022-06-23 WO disclosed
WO-2022133285-A1 MOLECULES AND METHODS RELATED TO TREATMNET OF DISORDERS ASSOCIATED WITH JAK-2 SIGNALING DYSFUNCTION ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2022-06-23 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-20240124465-A1 MOLECULES AND METHODS RELATED TO TREATMENT OF DISORDERS ASSOCIATED WITH JAK-2 SIGNALING DYSFUNCTION JAK2, JAK1, JAK3 CTSK 3182/4885CTSS 3163/4885NPC1 2732/4885

“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.