SCHEMBL10015697

SCHEMBL10015697

Cc1cc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCN4C(=O)CCC(=O)O)CC2)cc(C(F)(F)F)c1

nearest known ligand 0.88

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 15/20 0.88
KDM4E B2RXH2 1/20 0.69
ALDH1A1 P00352 1/20 0.69
POLB P06746 1/20 0.69
PTPN7 P35236 1/20 0.69
CYP2C9 P11712 1/20 0.62
RECQL P46063 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61

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
SCHEMBL2278070 0.94 PTPN11 (1.00) PTPN11KDM4EALDH1A1POLBPTPN7
SCHEMBL12372347 0.92 PTPN11 (0.75) PTPN11KDM4EALDH1A1POLBPTPN7
SCHEMBL2277226 0.88 PTPN11 (1.00) PTPN11KDM4EALDH1A1POLBPTPN7
SCHEMBL23217028 0.88 LMNA (0.70) PTPN11POLBSMN1; SMN2
SCHEMBL23228886 0.87 PTPN11 (0.66) PTPN11KDM4EALDH1A1POLBPTPN7
SCHEMBL13536416 0.85 PTPN11 (0.83) PTPN11KDM4EALDH1A1POLBPTPN7
SCHEMBL2280568 0.85 PTPN11 (0.82) PTPN11KDM4EALDH1A1POLBPTPN7
SCHEMBL30889352 0.83 PTPN11 (0.80) PTPN11KDM4EALDH1A1POLBPTPN7
SCHEMBL2280039 0.83 PTPN11 (1.00) PTPN11KDM4EALDH1A1POLBPTPN7
SCHEMBL2274512 0.83 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20120034186-A1 INDOLINE SCAFFOLD SHP-2 INHIBITORS AND METHOD OF TREATING CANCER PTPN1, PTPN2, PTPN7 PTPN11 16/4885KDM4E 1400/4885ALDH1A1 3494/4885
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.