SCHEMBL4558887

SCHEMBL4558887

O=S1(=O)CCN(C[C@@H](O)CCl)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 1/20 0.38
ATM Q13315 1/20 0.38
USP2 O75604 1/20 0.38
HSD17B10 Q99714 1/20 0.35
PRMT5 O14744 2/20 0.33
WDR77 Q9BQA1 2/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
RAB9A P51151 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30

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
SCHEMBL13712017 1.00 KMT2A (0.40) KMT2AMEN1MAPTATMUSP2
SCHEMBL17162628 0.87 KMT2A (0.52) KMT2AMEN1MAPTATMUSP2
SCHEMBL7573905 0.82 MAPT (0.59) KMT2AMEN1MAPTATMUSP2
SCHEMBL7573899 0.82 KMT2A (0.41) KMT2AMEN1MAPTATMUSP2
SCHEMBL9819626 0.80 MEN1 (0.52) KMT2AMEN1MAPTATMUSP2
SCHEMBL8391173 0.80 MEN1 (0.52) KMT2AMEN1MAPTATMUSP2
SCHEMBL4500454 0.80 KDM4E (0.42) KMT2AMEN1MAPTATMUSP2
SCHEMBL4560035 0.80 KDM4E (0.42) KMT2AMEN1MAPTATMUSP2
SCHEMBL14378535 0.80 SLC18A3 (0.42) KMT2AMEN1MAPTATMUSP2
SCHEMBL488808 0.76 MEN1 (0.68) KMT2AMEN1MAPTATMUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582756-B2 3-(4-amidopyrrol-2-ylmethylidene)-2-indolinone derivatives as protein kinase inhibitors SUGEN, INC. (US) 2009-09-01 US disclosed
US-20080045709-A1 3-(4-AMIDOPYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS PROTEIN KINASE INHIBITORS SUGEN, INC. 2008-02-21 US disclosed
US-7256189-B2 3-(4-amidopyrrol-2-ylmethylidene)-2-indolinone der derivatives as protein kinase inhibitors SUGEN, INC. (US) 2007-08-14 US disclosed
US-7179910-B2 3-(4-amidopyrrol-2-ylmethlidene)-2-indolinone derivatives as protein kinase inhibitors AGOURON PHARMACEUTICALS, INC. (US) 2007-02-20 US disclosed
US-20070027149-A1 3-(4-amidopyrrol-2-ylmethylidene)-2-indolinone der derivatives as protein kinase inhibitors SUGEN, INC. 2007-02-01 US disclosed
EP-1370554-B1 3-(4-AMIDOPYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS PROTEIN KINASE INHIBITORS PHARMACIA & UPJOHN CO LLC (US) 2005-10-19 EP disclosed
US-20040102510-A1 3-(4-amidopyrrol-2-ylmethlidene)-2-indolinone derivatives as protein kinase inhibitors SUGEN, INC. 2004-05-27 US disclosed
EP-1370554-A1 3-(4-AMIDOPYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS PROTEIN KINASE INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 2003-12-17 EP disclosed
US-6653308-B2 Anticancer agents; antidiabetic agents; antiinflammatory agents SUGEN, INC. 2003-11-25 US disclosed
US-20030092917-A1 3-(4-amidopyrrol-2-ylmethylidene)-2-indolinone derivatives as portein kinase inhibitors SUGEN, INC. 2003-05-15 US disclosed
WO-2002066463-A1 3-(4-AMIDOPYRROL-2-YLMETHLIDENE)-2-INDOLINONE DERIVATIVES AS PROTEIN KINASE INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 2002-08-29 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 (4 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-20080045709-A1 3-(4-AMIDOPYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS PROTEIN KINASE INHIBITORS MAP4K2, MAP4K3, CDK2 KMT2A 1507/4885MEN1 3269/4885MAPT 2023/4885
US-20040102510-A1 3-(4-amidopyrrol-2-ylmethlidene)-2-indolinone derivatives as protein kinase inhibitors MAP3K15, MAP3K19, MAP3K9 KMT2A 1941/4885MEN1 2961/4885MAPT 2485/4885
US-20030092917-A1 3-(4-amidopyrrol-2-ylmethylidene)-2-indolinone derivatives as portein kinase inhibitors PDPK1, MKNK1, PKN2 KMT2A 1804/4885MEN1 1498/4885MAPT 2499/4885
US-20070027149-A1 3-(4-amidopyrrol-2-ylmethylidene)-2-indolinone der derivatives as protein kinase inhibitors PDPK1, MAP4K2, MAP4K3 KMT2A 2023/4885MEN1 3357/4885MAPT 2927/4885

“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.