SCHEMBL4418236

SCHEMBL4418236

O=C(O)c1ccc(CNc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.59
CA2 P00918 3/20 0.59
ALDH1A1 P00352 3/20 0.59
POLB P06746 1/20 0.59
HPGD P15428 1/20 0.59
HSD17B10 Q99714 1/20 0.59
CTDSP1 Q9GZU7 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
KMT2A Q03164 2/20 0.58
HDAC1 Q13547 1/20 0.57
FFAR1 O14842 5/20 0.56
FFAR4 Q5NUL3 1/20 0.56
HIF1A Q16665 1/20 0.53

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
SCHEMBL11246349 0.93 CA1 (0.69) CA1CA2ALDH1A1POLBHPGD
SCHEMBL5211384 0.92 ALDH1A1 (0.65) CA1CA2ALDH1A1POLBHPGD
SCHEMBL1446643 0.92 CA1 (0.70) CA1CA2ALDH1A1POLBHPGD
SCHEMBL11253071 0.91 AGER (0.64) CA1CA2ALDH1A1POLBHPGD
SCHEMBL16550429 0.91 FFAR1 (0.67) CA1CA2ALDH1A1POLBHPGD
SCHEMBL2647499 0.91 ALDH1A1 (0.72) CA1CA2ALDH1A1POLBHPGD
SCHEMBL4562716 0.91 TPMT (0.59) CA1CA2ALDH1A1POLBHPGD
SCHEMBL11414793 0.91 FFAR1 (0.67) CA1CA2ALDH1A1POLBHPGD
SCHEMBL11413950 0.91 ALDH1A1 (0.69) CA1CA2ALDH1A1POLBHPGD
SCHEMBL11246224 0.91 ALDH1A1 (0.72) CA1CA2ALDH1A1POLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070276036-A1 Non-Glycosidic and Non-Peptidic Select Inhibitors, and the Use Thereof JOHANNES GUTENBERG-UNIVERSITAT MAINZ (DE) 2007-11-29 US claimed
US-7485742-B2 Non-glycosidic and non-peptidic inhibitors of selectin, and the use thereof Johannes Gutenberg-Universität Mainz (DE) 2009-02-03 US disclosed
US-20070276036-A1 Non-Glycosidic and Non-Peptidic Select Inhibitors, and the Use Thereof JOHANNES GUTENBERG-UNIVERSITAT MAINZ (DE) 2007-11-29 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-20070276036-A1 Non-Glycosidic and Non-Peptidic Select Inhibitors, and the Use Thereof VCAM1, ICAM1, SELPLG CA1 1636/4885CA2 3425/4885ALDH1A1 664/4885

“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.