SCHEMBL14850434

SCHEMBL14850434

CCCOc1c2cccc1Cc1cc(C(P(=O)(O)O)P(=O)(O)O)cc(c1O)Cc1cccc(c1O)Cc1cc(C(P(=O)(O)O)P(=O)(O)O)cc(c1O)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTPRB P23467 5/20 1.00
▸ PTPN2 P17706 5/20 1.00
▸ PTPN1 P18031 5/20 1.00
▸ PTPN11 Q06124 5/20 1.00
▸ PTPRC P08575 4/20 1.00
▸ GSTA1 P08263 6/20 0.68
▸ GSTP1 P09211 6/20 0.68
▸ CD69 Q07108 2/20 0.37
▸ PTPN4 P29074 1/20 0.35
▸ PTPN9 P43378 1/20 0.35
▸ LGALS1 P09382 1/20 0.34
▸ TLR4 O00206 1/20 0.34
▸ CD14 P08571 1/20 0.34
▸ LY96 Q9Y6Y9 1/20 0.34
▸ SRC P12931 1/20 0.33
▸ KMT2A Q03164 1/20 0.32
▸ CREB1 P16220 1/20 0.31
▸ ROCK2 O75116 1/20 0.31
▸ ROCK1 Q13464 1/20 0.31

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
SCHEMBL12856732 0.82 GSTA1 (0.67) PTPRBPTPN2PTPN1PTPN11PTPRC
SCHEMBL14848393 0.81 PTPRB (0.67) PTPRBPTPN2PTPN1PTPN11PTPRC
SCHEMBL12856718 0.78 GSTA1 (0.64) PTPRBPTPN2PTPN1PTPN11PTPRC
SCHEMBL19726834 0.78 GSTA1 (0.64) PTPRBPTPN2PTPN1PTPN11PTPRC
SCHEMBL12856777 0.77 GSTA1 (0.63) PTPRBPTPN2PTPN1PTPN11PTPRC
SCHEMBL14848390 0.76 PTPRB (0.58) PTPRBPTPN2PTPN1PTPN11PTPRC
SCHEMBL760971 0.74 GSTA1 (0.65) PTPRBPTPN2PTPN1PTPN11PTPRC
SCHEMBL23931194 0.74 GSTA1 (0.58) PTPRBPTPN2PTPN1PTPN11PTPRC
SCHEMBL12856857 0.74 GSTA1 (0.56) PTPRBPTPN2PTPN1PTPN11PTPRC
SCHEMBL31326111 0.74 GSTA1 (0.56) PTPRBPTPN2PTPN1PTPN11PTPRC

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-20130090494-A1 TETRAKIS[BIS(DIHYDROXYPHOSPHORYL)METHYL]CALIX[4]ARENE OR ITS SODIUM SALT THEREOF AS FIBRIN POLYMERIZATION INHIBITORS KOMISARENKO SERHII VASYL OVYCH (UA) 2013-04-11 — — 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-20130090494-A1 TETRAKIS[BIS(DIHYDROXYPHOSPHORYL)METHYL]CALIX[4]ARENE OR ITS SODIUM SALT THEREOF AS FIBRIN POLYMERIZATION INHIBITORS FGB, F2, TFPI PTPRB 519/4885PTPN2 1397/4885PTPN1 1115/4885

“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.

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