SCHEMBL4084944

SCHEMBL4084944

COC(=O)[C@H](CCO[PH](=O)C(O)c1cc([N+](=O)[O-])ccc1O)NC(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 5/20 0.45
ITGB7 P26010 5/20 0.45
CTSL P07711 7/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
GSTP1 P09211 1/20 0.41
GSTM2 P28161 1/20 0.41
KYNU Q16719 1/20 0.40
CTSB P07858 1/20 0.40

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
SCHEMBL4084706 0.90 GSTP1 (0.45) ITGA4ITGB7CTSLHDAC1HDAC2
SCHEMBL4088783 0.89 GSTP1 (0.44) CTSLHDAC1HDAC2GSTP1GSTM2
SCHEMBL4084378 0.87 CTSL (0.48) CTSLHDAC1HDAC2GSTP1GSTM2
SCHEMBL4094926 0.86 CTSL (0.44) CTSLHDAC1HDAC2GSTP1GSTM2
SCHEMBL4097234 0.85 GSTP1 (0.45) ITGA4ITGB7CTSLHDAC1HDAC2
SCHEMBL4089300 0.84 GSTP1 (0.46) CTSLHDAC1HDAC2GSTP1GSTM2
SCHEMBL4100004 0.82 GSTP1 (0.48) CTSLHDAC1HDAC2GSTP1GSTM2
SCHEMBL13774898 0.81 GRM8 (0.56) ITGA4ITGB7CTSLHDAC1HDAC2
SCHEMBL4091635 0.80 GSTP1 (0.47) CTSLHDAC1HDAC2GSTP1GSTM2
SCHEMBL4094784 0.80 ALDH1A1 (0.47) CTSLHDAC1HDAC2GSTP1GSTM2

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-20090170813-A1 Hypophosphorous Acid Derivatives and their Therapeutical Applications CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2009-07-02 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-20090170813-A1 Hypophosphorous Acid Derivatives and their Therapeutical Applications P4HA1, CYP2R1, EGLN3 ITGA4 3332/4885ITGB7 3407/4885CTSL 1942/4885

“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.