SCHEMBL2280796

SCHEMBL2280796

O=C(O)CCC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 13/20 1.00
TP53 P04637 1/20 0.79
ALDH1A1 P00352 3/20 0.75
POLB P06746 2/20 0.75
KDM4E B2RXH2 1/20 0.75
PTPN7 P35236 1/20 0.75
TSHR P16473 3/20 0.70
HTT P42858 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
CYP2C9 P11712 1/20 0.70
GAA P10253 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
USP2 O75604 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
SCHEMBL12372382 0.90 TP53 (0.85) PTPN11TP53ALDH1A1POLBKDM4E
SCHEMBL2274512 0.88 PTPN11 (1.00) PTPN11ALDH1A1POLBKDM4EPTPN7
SCHEMBL2278539 0.86 PTPN11 (0.77) PTPN11ALDH1A1POLBKDM4EPTPN7
SCHEMBL2114376 0.85 PTPN11 (1.00) PTPN11ALDH1A1POLBKDM4EPTPN7
SCHEMBL2274367 0.85 PTPN11 (1.00) PTPN11ALDH1A1POLBKDM4EPTPN7
SCHEMBL2280039 0.82 PTPN11 (1.00) PTPN11ALDH1A1POLBKDM4EPTPN7
SCHEMBL2279217 0.82 PTPN11 (1.00) PTPN11
SCHEMBL13536319 0.82 PTPN11 (0.87) PTPN11ALDH1A1POLBKDM4EPTPN7
SCHEMBL2273642 0.82 PTPN11 (0.83) PTPN11ALDH1A1POLBKDM4EPTPN7
SCHEMBL23217181 0.81 PTPN11 (0.82) PTPN11ALDH1A1POLBKDM4EPTPN7

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 12 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-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-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
WO-2010011666-A2 INDOLINE SCAFFOLD SHP-2 INHIBITORS AND CANCER TREATMENT METHOD UNIVERSITY OF SOUTH FLORIDA (US) 2010-01-28 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 (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 16/4885TP53 271/4885ALDH1A1 3494/4885
US-20110190315-A1 INDOLINE SCAFFOLD SHP-2 INHIBITORS AND CANCER TREATMENT METHOD PTPN7, PTPN3, PTPN5 PTPN11 16/4885TP53 124/4885ALDH1A1 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.