SCHEMBL2114376

SCHEMBL2114376

O=C(O)CCC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 15/20 1.00
KDM4E B2RXH2 1/20 1.00
ALDH1A1 P00352 1/20 1.00
POLB P06746 1/20 1.00
PTPN7 P35236 1/20 1.00
CYP2C9 P11712 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.66

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
SCHEMBL2274512 0.91 PTPN11 (1.00) PTPN11KDM4EALDH1A1POLBPTPN7
SCHEMBL2273642 0.90 PTPN11 (0.83) PTPN11KDM4EALDH1A1POLBPTPN7
SCHEMBL13536319 0.90 PTPN11 (0.87) PTPN11KDM4EALDH1A1POLBPTPN7
SCHEMBL12372379 0.90 PTPN11 (0.82) PTPN11KDM4EALDH1A1POLBPTPN7
SCHEMBL2274367 0.90 PTPN11 (1.00) PTPN11KDM4EALDH1A1POLBPTPN7
SCHEMBL2282535 0.89 PTPN11 (0.80) PTPN11KDM4EALDH1A1POLBPTPN7
SCHEMBL2278179 0.88 PTPN11 (1.00) PTPN11KDM4EALDH1A1POLBPTPN7
SCHEMBL2276926 0.87 PTPN11 (1.00) PTPN11KDM4EALDH1A1POLBPTPN7
SCHEMBL2280039 0.87 PTPN11 (1.00) PTPN11KDM4EALDH1A1POLBPTPN7
SCHEMBL2278644 0.86 PTPN11 (1.00) PTPN11KDM4EALDH1A1POLBPTPN7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105240-A1 Methods for treating leukemia and myelodysplastic syndrome, and methods for identifying agents for treating same SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2009-04-23 US claimed
US-9174969-B2 Indoline scaffold SHP-2 inhibitors and cancer treatment method UNIVERSITY OF SOUTH FLORIDA (US) 2015-11-03 US disclosed
US-9174969-B2 Indoline scaffold SHP-2 inhibitors and cancer treatment method UNIVERSITY OF SOUTH FLORIDA (US) 2015-11-03 US disclosed
US-9174969-B2 Indoline scaffold SHP-2 inhibitors and cancer treatment method UNIVERSITY OF SOUTH FLORIDA (US) 2015-11-03 US disclosed
US-8623906-B2 Carboxy isatin hydrazones and their esters as Shp2 inhibitors H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2014-01-07 US disclosed
US-8623906-B2 Carboxy isatin hydrazones and their esters as Shp2 inhibitors H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2014-01-07 US disclosed
US-20120095032-A1 METHODS FOR TREATING LEUKEMIA AND MYELODYSPLASTIC SYNDROME, AND METHODS FOR IDENTIFYING AGENTS FOR TREATING SAME SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2012-04-19 US disclosed
US-20120095032-A1 METHODS FOR TREATING LEUKEMIA AND MYELODYSPLASTIC SYNDROME, AND METHODS FOR IDENTIFYING AGENTS FOR TREATING SAME SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2012-04-19 US disclosed
US-20120095032-A1 METHODS FOR TREATING LEUKEMIA AND MYELODYSPLASTIC SYNDROME, AND METHODS FOR IDENTIFYING AGENTS FOR TREATING SAME SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2012-04-19 US disclosed
US-20120034186-A1 INDOLINE SCAFFOLD SHP-2 INHIBITORS AND METHOD OF TREATING CANCER UNIVERSITY OF SOUTH FLORIDA (US) 2012-02-09 US disclosed
US-20120034186-A1 INDOLINE SCAFFOLD SHP-2 INHIBITORS AND METHOD OF TREATING CANCER UNIVERSITY OF SOUTH FLORIDA (US) 2012-02-09 US disclosed
US-20110190315-A1 INDOLINE SCAFFOLD SHP-2 INHIBITORS AND CANCER TREATMENT METHOD UNIVERSITY OF SOUTH FLORIDA (US) 2011-08-04 US disclosed
US-20110190315-A1 INDOLINE SCAFFOLD SHP-2 INHIBITORS AND CANCER TREATMENT METHOD UNIVERSITY OF SOUTH FLORIDA (US) 2011-08-04 US disclosed
US-20110190315-A1 INDOLINE SCAFFOLD SHP-2 INHIBITORS AND CANCER TREATMENT METHOD UNIVERSITY OF SOUTH FLORIDA (US) 2011-08-04 US disclosed
WO-2010011666-A2 INDOLINE SCAFFOLD SHP-2 INHIBITORS AND CANCER TREATMENT METHOD UNIVERSITY OF SOUTH FLORIDA (US) 2010-01-28 WO disclosed
US-20090105240-A1 Methods for treating leukemia and myelodysplastic syndrome, and methods for identifying agents for treating same SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2009-04-23 US disclosed
US-20090105240-A1 Methods for treating leukemia and myelodysplastic syndrome, and methods for identifying agents for treating same SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2009-04-23 US disclosed
US-20090105240-A1 Methods for treating leukemia and myelodysplastic syndrome, and methods for identifying agents for treating same SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2009-04-23 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 (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-20090105240-A1 Methods for treating leukemia and myelodysplastic syndrome, and methods for identifying agents for treating same MCL1, AS3MT, MYADM PTPN11 2141/4885KDM4E 3465/4885ALDH1A1 210/4885
US-20120034186-A1 INDOLINE SCAFFOLD SHP-2 INHIBITORS AND METHOD OF TREATING CANCER PTPN1, PTPN2, PTPN7 PTPN11 16/4885KDM4E 1400/4885ALDH1A1 3494/4885
US-20120095032-A1 METHODS FOR TREATING LEUKEMIA AND MYELODYSPLASTIC SYNDROME, AND METHODS FOR IDENTIFYING AGENTS FOR TREATING SAME MCL1, AS3MT, MYADM PTPN11 2141/4885KDM4E 3465/4885ALDH1A1 210/4885
US-20110190315-A1 INDOLINE SCAFFOLD SHP-2 INHIBITORS AND CANCER TREATMENT METHOD PTPN7, PTPN3, PTPN5 PTPN11 16/4885KDM4E 990/4885ALDH1A1 3520/4885

“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.