SCHEMBL2777103

SCHEMBL2777103

O=C1C(Cl)=C/C(=N/S(=O)(=O)c2ccccc2)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.55
▸ NSD2 O96028 6/20 0.55
▸ POLB P06746 6/20 0.55
▸ MEN1 O00255 6/20 0.55
▸ ATM Q13315 1/20 0.55
▸ DUSP3 P51452 1/20 0.53
▸ APAF1 O14727 8/20 0.52
▸ HSP90AA1 P07900 3/20 0.52
▸ GALK1 P51570 3/20 0.52
▸ BLM P54132 3/20 0.52
▸ HKDC1 Q2TB90 3/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ THRB P10828 2/20 0.52
▸ HTT P42858 2/20 0.52
▸ MCL1 Q07820 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ LMNA P02545 2/20 0.52
▸ MAPK1 P28482 2/20 0.52

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
SCHEMBL2777105 1.00 KMT2A (0.55) KMT2ANSD2POLBMEN1ATM
SCHEMBL2777102 1.00 KMT2A (0.55) KMT2ANSD2POLBMEN1ATM
SCHEMBL2241676 0.91 DUSP3 (0.51) KMT2ANSD2POLBMEN1ATM
SCHEMBL2243963 0.91 DUSP3 (0.51) KMT2ANSD2POLBMEN1ATM
SCHEMBL2241679 0.91 DUSP3 (0.51) KMT2ANSD2POLBMEN1ATM
SCHEMBL2241698 0.91 DUSP3 (0.66) KMT2ANSD2POLBMEN1ATM
SCHEMBL2241695 0.91 DUSP3 (0.66) KMT2ANSD2POLBMEN1ATM
SCHEMBL2241690 0.91 DUSP3 (0.66) KMT2ANSD2POLBMEN1ATM
SCHEMBL2778917 0.88 NSD2 (0.66) KMT2ANSD2POLBMEN1ATM
SCHEMBL2778921 0.88 NSD2 (0.66) KMT2ANSD2POLBMEN1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142917-A1 PROTEASOME INHIBITORS HAVING CHYMOTRYPSIN-LIKE ACTIVITY H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2012-06-07 — — US claimed
WO-2010102286-A2 PROTEASOME INHIBITORS HAVING CHYMOTRYPSIN-LIKE ACTIVITY H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2010-09-10 — — WO claimed
US-8466157-B2 Proteasome inhibitors having chymotrypsin-like activity UNIVERSITY OF SOUTH FLORIDA (US) 2013-06-18 — — US disclosed
US-20120142917-A1 PROTEASOME INHIBITORS HAVING CHYMOTRYPSIN-LIKE ACTIVITY H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2012-06-07 — — US disclosed
WO-2010102286-A2 PROTEASOME INHIBITORS HAVING CHYMOTRYPSIN-LIKE ACTIVITY H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2010-09-10 — — WO 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-20120142917-A1 PROTEASOME INHIBITORS HAVING CHYMOTRYPSIN-LIKE ACTIVITY PSMB4, PSME4, PSMB1 KMT2A 767/4885NSD2 1130/4885POLB 1954/4885

“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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