SCHEMBL12372385

SCHEMBL12372385

CCCC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4Cl)CC3)ccc21

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 13/20 0.77
USP2 O75604 1/20 0.70
ALDH1A1 P00352 1/20 0.70
TSHR P16473 1/20 0.70
TP53 P04637 1/20 0.64

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
SCHEMBL2278539 0.91 PTPN11 (0.77) PTPN11USP2ALDH1A1TSHR
SCHEMBL2275960 0.87 PTPN11 (1.00) PTPN11
SCHEMBL12372382 0.86 TP53 (0.85) PTPN11USP2ALDH1A1TSHRTP53
SCHEMBL12372346 0.85 PTPN11 (0.84) PTPN11USP2ALDH1A1TSHR
SCHEMBL12372326 0.84 PTPN11 (0.83) PTPN11ALDH1A1TP53
SCHEMBL12372317 0.84 PTPN11 (0.85) PTPN11USP2ALDH1A1TSHRTP53
SCHEMBL12372348 0.84 PTPN11 (0.82) PTPN11USP2ALDH1A1TSHR
SCHEMBL17225360 0.83 PTPN11 (0.84) PTPN11ALDH1A1
SCHEMBL12372370 0.82 PTPN11 (0.83) PTPN11ALDH1A1TP53
SCHEMBL12372365 0.81 PTPN11 (0.85) PTPN11USP2ALDH1A1TSHR

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 2 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-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 PTPN11 16/4885USP2 1103/4885ALDH1A1 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.