SCHEMBL6498944

SCHEMBL6498944

COC(=O)c1cc(F)cc(N2CCC(O)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.45
NPY5R Q15761 5/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TTR P02766 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
DDR1 Q08345 1/20 0.39
HSD17B10 Q99714 1/20 0.38
OPRK1 P41145 1/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL6506081 0.88 ALDH1A1 (0.42) NPY5RALDH1A1KDM4EMAPTHPGD
SCHEMBL6503624 0.86 NPY5R (0.43) ABL1NPY5RALDH1A1KDM4EMAPT
SCHEMBL6501166 0.83 NOTUM (0.51) ABL1ALDH1A1MAPTDDR1MEN1
SCHEMBL7229124 0.82 ADRB1 (0.46) TTR
SCHEMBL6505768 0.82 MAOB (0.43) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL23662606 0.82 MRGPRX4 (0.49) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL3508055 0.81 HSD17B10 (0.44) ABL1ALDH1A1KDM4EMAPTHPGD
SCHEMBL19386229 0.81 MAPT (0.46) ALDH1A1KDM4EMAPTHPGDNPC1
SCHEMBL6507312 0.80 BPTF (0.42) NPY5ROPRK1MEN1KMT2A
SCHEMBL10145136 0.79 GAA (0.53) ALDH1A1KDM4EMAPTHPGDNPC1

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-20050059669-A1 M-substituted benzoic acid derivatives having integrin alpha v beta 3 antagonistic activity AJITO KEIICHI (JP) 2005-03-17 US disclosed
EP-1229024-A1 m-SUBSTITUTED BENZOIC ACID DERIVATIVES EXHIBITING INTEGRIN ALPHA-V BETA-3 ANTAGONISM MEIJI SEIKA KAISHA LTD. (JP) 2002-08-07 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-20050059669-A1 M-substituted benzoic acid derivatives having integrin alpha v beta 3 antagonistic activity ITGAV, ITGB3, ITGA4 ABL1 2316/4885NPY5R 313/4885ALDH1A1 1967/4885

“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.