SCHEMBL3060737

SCHEMBL3060737

O=C(O)c1ccc2c(C(=O)O)cccc2c1.[O-2].[O-2].[Ti+4]

nearest known ligand 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.93
NR4A1 P22736 1/20 0.58
NR4A2 P43354 1/20 0.58
NR4A3 Q92570 1/20 0.58
PLA2G2D Q9UNK4 1/20 0.50
CDC25B P30305 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PTPN11 Q06124 1/20 0.47
GRIN2D O15399 2/20 0.46
GRIN2A Q12879 2/20 0.46
GRIN2C Q14957 2/20 0.46
GRIN2B Q13224 1/20 0.46
HSD17B10 Q99714 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA6 P23280 1/20 0.46
CA9 Q16790 1/20 0.46
ACE2 Q9BYF1 1/20 0.45

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
SCHEMBL70015 0.96 PTPN1 (1.00) PTPN1NR4A1NR4A2NR4A3PLA2G2D
SCHEMBL29404396 0.96 PTPN1 (1.00) PTPN1NR4A1NR4A2NR4A3PLA2G2D
SCHEMBL27906674 0.95 PTPN1 (0.96) PTPN1NR4A1NR4A2NR4A3PLA2G2D
Hydrochloric Acid SCHEMBL11707739 0.95 PTPN1 (0.96) PTPN1NR4A1NR4A2NR4A3PLA2G2D
Hydrochloric Acid SCHEMBL8522902 0.95 PTPN1 (0.96) PTPN1NR4A1NR4A2NR4A3PLA2G2D
SCHEMBL8898819 0.93 PTPN1 (0.93) PTPN1NR4A1NR4A2NR4A3PLA2G2D
SCHEMBL7623416 0.90 PTPN1 (0.87) PTPN1NR4A1NR4A2NR4A3PLA2G2D
SCHEMBL7746811 0.90 PTPN1 (0.87) PTPN1NR4A1NR4A2NR4A3PLA2G2D
Ethylene Glycol SCHEMBL27888858 0.90 PTPN1 (0.87) PTPN1NR4A1NR4A2NR4A3PLA2G2D
Paraben SCHEMBL5690434 0.88 PTPN1 (0.84) PTPN1NR4A1NR4A2NR4A3PLA2G2D

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-7772181-B2 Personal care compositions comprising modified variant Bowman Birk Protease Inhibitors DANISCO US INC. (US) 2010-08-10 US disclosed
US-20100092409-A1 PERSONAL CARE COMPOSITIONS COMPRISING MODIFIED VARIANT BOWMAN BIRK PROTEASE INHIBITORS DANISCO US INC. 2010-04-15 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-20100092409-A1 PERSONAL CARE COMPOSITIONS COMPRISING MODIFIED VARIANT BOWMAN BIRK PROTEASE INHIBITORS SERPINB1, CPB1, HABP2 PTPN1 1374/4885NR4A1 3975/4885NR4A2 4362/4885

“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.