SCHEMBL4918537

SCHEMBL4918537

COc1ccc(N(C(=O)OC(C)(C)C)S(=O)(=O)c2ccc(C(N)(C(F)(F)F)C(F)(F)F)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 7/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ HSD11B1 P28845 1/20 0.47
▸ LMNA P02545 2/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ USP2 O75604 1/20 0.45
▸ MAPT P10636 3/20 0.43
▸ F2 P00734 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ HSP90AA1 P07900 3/20 0.42
▸ POLB P06746 1/20 0.41
▸ KEAP1 Q14145 1/20 0.41
▸ NFE2L2 Q16236 1/20 0.41
▸ THRB P10828 2/20 0.41

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
SCHEMBL4928804 0.88 MAPK1 (0.43) TP53SMN1; SMN2HSD11B1LMNAALDH1A1
SCHEMBL4917411 0.79 STAT3 (0.53) TP53SMN1; SMN2LMNAALDH1A1USP2
SCHEMBL7386917 0.74 TP53 (0.57) TP53SMN1; SMN2LMNAALDH1A1USP2
SCHEMBL4927290 0.71 SIRT2 (0.48) TP53SMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL2943913 0.69 LMNA (0.50) SMN1; SMN2LMNA
SCHEMBL1858294 0.68 KMT2A (0.47) TP53SMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL246278 0.67 CA1 (0.42) TP53SMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL9478142 0.67 TP53 (0.73) TP53LMNAALDH1A1USP2MAPT
SCHEMBL8946077 0.67 ELANE (0.46) TP53SMN1; SMN2ALDH1A1MAPTF2
SCHEMBL7314095 0.67 MMP1 (0.48) TP53LMNAMAPT

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-20080188659-A1 Method for Preparing Halogenated Amines WYETH (US) 2008-08-07 — — US disclosed
US-20080188659-A1 Method for Preparing Halogenated Amines WYETH (US) 2008-08-07 — — US disclosed
US-20080188659-A1 Method for Preparing Halogenated Amines WYETH (US) 2008-08-07 — — 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-20080188659-A1 Method for Preparing Halogenated Amines PNMT, ABL1, INMT TP53 3224/4885SMN1; SMN2 3833/4885HSD11B1 2350/4885

“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.

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