SCHEMBL2437666

SCHEMBL2437666

Nc1ccc(C(F)C(=O)O)cc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 7/20 0.42
KDM4E B2RXH2 7/20 0.42
ALDH1A1 P00352 6/20 0.42
TDP1 Q9NUW8 5/20 0.42
HPGD P15428 5/20 0.42
BLM P54132 4/20 0.42
GRM1 Q13255 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GRM2 Q14416 2/20 0.42
LMNA P02545 2/20 0.42
CYP2C9 P11712 2/20 0.42
NR1I2 O75469 1/20 0.42
PTGS1 P23219 1/20 0.42
ADRA1A P35348 1/20 0.42
ALOX15 P16050 2/20 0.42
CYP3A4 P08684 1/20 0.42
PMP22 Q01453 2/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.39

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
SCHEMBL2433161 0.80 MT-CO2 (0.38) HSD17B10KDM4EALDH1A1HPGDBLM
SCHEMBL27533485 0.78 ALOX15 (0.50) HSD17B10KDM4EALDH1A1TDP1HPGD
SCHEMBL4129677 0.78 AKR1C3 (0.47) HSD17B10KDM4EALDH1A1HPGDMEN1
SCHEMBL28605589 0.78 PPARG (0.36) HSD17B10KDM4ETDP1HPGDMEN1
SCHEMBL11254414 0.74 POLB (0.41) HSD17B10ALDH1A1TDP1MEN1KMT2A
SCHEMBL8337703 0.73 GAA (0.49) HSD17B10KDM4EALDH1A1TDP1HPGD
SCHEMBL2438044 0.73 GRM8 (0.50) HSD17B10KDM4EALDH1A1TDP1HPGD
SCHEMBL16569096 0.71 AKR1C3 (0.39) HSD17B10KDM4EALDH1A1TDP1HPGD
SCHEMBL1142809 0.71 SRC (0.55) HSD17B10KDM4EALDH1A1TDP1HPGD
SCHEMBL6422982 0.71 ALOX15 (0.52) HSD17B10KDM4EALDH1A1TDP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1346982-B1 VLA-4 INHIBITORS DAIICHI SEIYAKU CO (JP) 2011-09-14 EP disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
US-20040110945-A1 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-10 US disclosed
EP-1346982-A1 VLA-4 INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 EP 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-20040110945-A1 Vla-4 inhibitors VCAM1, ITGA1, ITGB4 HSD17B10 1607/4885KDM4E 1271/4885ALDH1A1 981/4885

“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.