SCHEMBL7247709

SCHEMBL7247709

COC(=O)Nc1nc2cc(S(=O)(=O)[C@H](NC[C@H](O)[CH]Cc3ccccc3)C(C)C)ccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACR P10323 1/20 0.43
LMNA P02545 6/20 0.42
CYP1A2 P05177 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NR1I2 O75469 1/20 0.42
MAPK14 Q16539 1/20 0.42
HIF1A Q16665 4/20 0.40
ALDH1A1 P00352 2/20 0.40
KDR P35968 2/20 0.40
ABCC4 O15439 1/20 0.40
USP2 O75604 1/20 0.40
ABL1 P00519 1/20 0.40
CYP2C9 P11712 1/20 0.40
HTT P42858 1/20 0.40
RAF1 P04049 5/20 0.40
BRAF P15056 5/20 0.40
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL8779479 0.86 ACR (0.42) ACRLMNACYP1A2MEN1KMT2A
SCHEMBL5172918 0.81 ACR (0.56) ACRLMNACYP1A2MEN1KMT2A
SCHEMBL7453483 0.76 ALDH1A1 (0.38) LMNACYP1A2ALDH1A1CYP2C9HPGD
SCHEMBL2576895 0.76 MMP1 (0.47) ALDH1A1
SCHEMBL13673916 0.75 CYP2D6 (0.41) LMNAMEN1KMT2AALDH1A1USP2
SCHEMBL2582026 0.74 ESR1 (0.36) LMNACYP1A2HIF1AALDH1A1CYP3A4
SCHEMBL10627091 0.74 LMNA (0.56) ACRLMNACYP1A2MEN1KMT2A
SCHEMBL8501160 0.74 CYP2D6 (0.50) LMNACYP1A2MEN1KMT2AALDH1A1
SCHEMBL8024734 0.73 PRMT1 (0.37) LMNAMEN1KMT2AALDH1A1
SCHEMBL7459208 0.73 POLB (0.38) LMNAKMT2AALDH1A1KDM4E

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-6569882-B2 Viricides; enzyme inhibitors G. D. SEARLE & CO. 2003-05-27 US disclosed
US-20030013751-A1 Bis-sulfonamide hydroxyethyl-amino retroviral protease inhibitors G.D. SEARLE & CO. (US) 2003-01-16 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-20030013751-A1 Bis-sulfonamide hydroxyethyl-amino retroviral protease inhibitors DNPEP, PRSS1, PREP ACR 3985/4885LMNA 3236/4885CYP1A2 2576/4885

“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.