SCHEMBL6502007

SCHEMBL6502007

CCOC(=O)c1cccc(N2CCC(O)CC2)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
MAPT P10636 5/20 0.42
ALDH1A1 P00352 4/20 0.42
TDP1 Q9NUW8 3/20 0.42
TTR P02766 1/20 0.41
OPRK1 P41145 1/20 0.41
KDM4E B2RXH2 3/20 0.41
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KMT2A Q03164 2/20 0.41
TP53 P04637 1/20 0.41
GLA P06280 2/20 0.41
HTR1A P08908 1/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 3/20 0.40
GAA P10253 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.40
HPGD P15428 1/20 0.40
BRD4 O60885 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
SCHEMBL6499370 0.89 PRKD3 (0.48) TSHRMAPTALDH1A1TDP1TTR
SCHEMBL6506469 0.86 HCRTR2 (0.43) TSHRMAPTALDH1A1TTROPRK1
SCHEMBL6500965 0.81 OPRK1 (0.51) MAPTALDH1A1OPRK1HTTKMT2A
SCHEMBL7467330 0.76 TSHR (0.70) TSHRMAPTALDH1A1TDP1KDM4E
SCHEMBL382363 0.74 ALDH1A1 (0.46) TSHRMAPTALDH1A1OPRK1KDM4E
SCHEMBL28965465 0.73 TSHR (0.61) TSHRMAPTALDH1A1TDP1KDM4E
SCHEMBL28353455 0.73 TSHR (0.61) TSHRMAPTALDH1A1KDM4EHTT
SCHEMBL25232509 0.72 ALDH1A1 (0.45) TSHRMAPTALDH1A1KDM4ETP53
SCHEMBL6507440 0.72 ATM (0.57) MAPTALDH1A1TDP1LMNASMN1; SMN2
SCHEMBL14992393 0.72 TSHR (0.63) TSHRMAPTALDH1A1TDP1KDM4E

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 TSHR 741/4885MAPT 4805/4885ALDH1A1 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.