SCHEMBL5359290

SCHEMBL5359290

COCOC(CCNS(=O)(=O)c1cc(C(O)Cc2ccccc2)sc1NC(=O)OC(C)(C)C)c1ccc(F)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
ATM Q13315 2/20 0.33
JAK2 O60674 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GNRHR P30968 1/20 0.33
ADRB3 P13945 1/20 0.33
CA12 O43570 2/20 0.33
CA7 P43166 2/20 0.33
CA14 Q9ULX7 2/20 0.33
KLK5 Q9Y337 1/20 0.33
CA9 Q16790 1/20 0.33
CA1 P00915 1/20 0.33
RORC P51449 3/20 0.33

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
SCHEMBL5359283 0.86 BACE1 (0.34) CYP3A4CYP2C19ATMJAK2ALDH1A1
SCHEMBL5358155 0.83 RORC (0.33) RORCSMN1; SMN2
SCHEMBL5348115 0.82 RORC (0.33) RORCSMN1; SMN2
SCHEMBL5358765 0.82 SMN1; SMN2 (0.34) RORCSMN1; SMN2
SCHEMBL5352923 0.76 POLB (0.34) JAK2ALDH1A1TP53HPGDNPSR1
SCHEMBL5350424 0.73 RORC (0.36) RORC
SCHEMBL5352919 0.73 CCR5 (0.32) ATMJAK2ALDH1A1TP53HPGD
SCHEMBL5352377 0.70 SMN1; SMN2 (0.39) CYP3A4CYP2C19ALDH1A1TP53HTT
SCHEMBL5358993 0.68 KCNH2 (0.41) CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL5358149 0.68 RORC (0.33) RORC

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-7217723-B2 Substituted benzothiophenes, e.g., 7Z)-7-hydroxyimino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-sulfonic acid [2-(4-fluorophenyl)-2-hydroxyethyl]-methyl-amide; treating allergies such as atopic dermatitis, allergic coryza, bronchial asthma, hypersensitive pneumoniac and pulmonary aspergillosis. EISAI CO., LTD. (JP) 2007-05-15 US disclosed
US-20050227959-A1 Heterocyclic compound having oxime group EISAI CO., LTD. (JP) 2005-10-13 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 (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-20050227959-A1 Heterocyclic compound having oxime group STAT6, HRH4, HRH2 CYP3A4 895/4885CYP2C19 1332/4885ATM 2347/4885

“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.