Sugi Predict

Sugi Predict / Compounds / SCHEMBL2344548

SCHEMBL2344548

SCHEMBL2344548

CCOC(=O)c1c(S(=O)(=O)NCCN(C(C)=O)c2ccc(OC)cc2)c2cc(Br)ccc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 5/20 0.39
▸ ELANE P08246 3/20 0.38
▸ PTGDR Q13258 1/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ TP53 P04637 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MTNR1B P49286 1/20 0.35
▸ NOD2 Q9HC29 1/20 0.35
▸ NOD1 Q9Y239 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ POLB P06746 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
SCHEMBL2345691 0.90 HTR6 (0.39) HTR6ELANEPTGDRPTGDR2KMT2A
SCHEMBL2345719 0.86 PTGDR (0.41) HTR6ELANEPTGDRPTGDR2KMT2A
SCHEMBL2348486 0.86 USP2 (0.43) HTR6ELANEPTGDRPTGDR2SMN1; SMN2
SCHEMBL2351720 0.85 HTR6 (0.42) HTR6ELANEPTGDRPTGDR2KMT2A
SCHEMBL2349950 0.84 KMT2A (0.40) ELANEPTGDRPTGDR2KMT2ASMN1; SMN2
SCHEMBL2346554 0.83 SMN1; SMN2 (0.44) ELANEPTGDRPTGDR2SMN1; SMN2ALDH1A1
SCHEMBL2350038 0.83 ELANE (0.43) ELANEPTGDRPTGDR2KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL2349568 0.82 ELANE (0.43) HTR6ELANEPTGDRPTGDR2SMN1; SMN2
Hydrochloric Acid SCHEMBL2346385 0.81 ELANE (0.42) HTR6ELANEPTGDRPTGDR2SMN1; SMN2
SCHEMBL2351658 0.80 ALDH1A1 (0.43) HTR6ELANEPTGDRPTGDR2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008295-B2 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2011-08-30 — — US disclosed
US-20100041652-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-02-18 — — US disclosed
US-20080008708-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2008-01-10 — — US disclosed
US-20060128783-A1 Tyrosine kinase inhibitors DINSMORE CHRISTOPHER J 2006-06-15 — — 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 (3 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-20060128783-A1 Tyrosine kinase inhibitors ABL1, ERBB2, JAK2 HTR6 581/4885ELANE 4439/4885PTGDR 1047/4885
US-20080008708-A1 Tyrosine kinase inhibitors ABL1, ERBB2, JAK2 HTR6 581/4885ELANE 4439/4885PTGDR 1047/4885
US-20100041652-A1 TYROSINE KINASE INHIBITORS ABL1, ERBB2, JAK2 HTR6 581/4885ELANE 4439/4885PTGDR 1047/4885

“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.