SCHEMBL4928804

SCHEMBL4928804

COc1ccc(N(C(=O)OC(C)(C)C)S(=O)(=O)c2cccc(C(N)(C(F)(F)F)C(F)(F)F)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.43
▸ TP53 P04637 3/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ KMT2A Q03164 4/20 0.40
▸ F2 P00734 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ MAPT P10636 3/20 0.39
▸ LMNA P02545 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ HSD11B1 P28845 1/20 0.39
▸ GAA P10253 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
SCHEMBL4918537 0.88 TP53 (0.50) TP53HSP90AA1KMT2AF2HPGD
SCHEMBL4927290 0.78 SIRT2 (0.48) MAPK1TP53HSP90AA1KMT2AF2
SCHEMBL3724224 0.75 CA12 (0.43) KMT2AMAPTHSD11B1
SCHEMBL4927307 0.74 SMN1; SMN2 (0.40) TP53KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL7386917 0.73 TP53 (0.57) TP53F2HPGDSMN1; SMN2ALDH1A1
SCHEMBL4917411 0.71 STAT3 (0.53) TP53HSP90AA1KMT2AF2HPGD
SCHEMBL1858551 0.71 MAPT (0.41) MAPK1TP53KMT2AALDH1A1MAPT
SCHEMBL1859873 0.70 TP53 (0.42) TP53KMT2AF2ALDH1A1MAPT
SCHEMBL1862225 0.69 KMT2A (0.43) MAPK1KMT2AF2SMN1; SMN2ALDH1A1
SCHEMBL13932919 0.68 CACNA1B (0.50) KMT2AALDH1A1

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
WO-2008098103-A1 METHOD FOR PREPARING HALOGENATED AMINES WYETH (US) 2008-08-14 — — WO 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
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 MAPK1 3824/4885TP53 3224/4885HSP90AA1 3207/4885

“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.

Send feedback