SCHEMBL12372382

SCHEMBL12372382

CCCC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)ccc21

nearest known ligand 0.85

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.85
PTPN11 Q06124 9/20 0.82
ALDH1A1 P00352 3/20 0.76
TSHR P16473 2/20 0.76
HTT P42858 1/20 0.76
SMN1; SMN2 Q16637 1/20 0.76
USP2 O75604 2/20 0.66
KDM4E B2RXH2 2/20 0.61
POLB P06746 1/20 0.61
PTPN7 P35236 1/20 0.61
KMT2A Q03164 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
SCHEMBL2280796 0.90 PTPN11 (1.00) TP53PTPN11ALDH1A1TSHRHTT
SCHEMBL12372326 0.87 PTPN11 (0.83) TP53PTPN11ALDH1A1KDM4EPOLB
SCHEMBL12372385 0.86 PTPN11 (0.77) TP53PTPN11ALDH1A1TSHRUSP2
SCHEMBL12372379 0.85 PTPN11 (0.82) TP53PTPN11ALDH1A1KDM4EPOLB
SCHEMBL12372370 0.85 PTPN11 (0.83) TP53PTPN11ALDH1A1KDM4EPOLB
SCHEMBL12372346 0.82 PTPN11 (0.84) PTPN11ALDH1A1TSHRUSP2KDM4E
SCHEMBL2275960 0.82 PTPN11 (1.00) PTPN11
SCHEMBL12372317 0.81 PTPN11 (0.85) TP53PTPN11ALDH1A1TSHRUSP2
SCHEMBL12372368 0.81 PTPN11 (0.84) PTPN11ALDH1A1KDM4EPOLBPTPN7
SCHEMBL12372348 0.81 PTPN11 (0.82) PTPN11ALDH1A1TSHRUSP2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20110190315-A1 INDOLINE SCAFFOLD SHP-2 INHIBITORS AND CANCER TREATMENT METHOD PTPN7, PTPN3, PTPN5 TP53 124/4885PTPN11 16/4885ALDH1A1 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.