SCHEMBL7105250

SCHEMBL7105250

CC[C@@](Cc1ccc(Nc2ncnc3ccc(OC(F)(F)F)cc23)cc1)(Nc1c(OC(C)C)c(=O)c1=O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.40
ERBB2 P04626 5/20 0.40
ABL1 P00519 3/20 0.40
BCR P11274 3/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 4/20 0.38
GRM1 Q13255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDR P35968 1/20 0.38
TP53 P04637 2/20 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
SCHEMBL7260154 0.79 RAB9A (0.35) EGFRERBB2MAPTNPC1RAB9A
SCHEMBL7105529 0.77 KMT2A (0.34) EGFRMAPTNPC1RAB9AKMT2A
SCHEMBL7716185 0.75 TP53 (0.33) MAPTKMT2ATP53
SCHEMBL7105959 0.73 ITGB1 (0.54) EGFRERBB2ABL1BCRKDM4E
SCHEMBL7714237 0.73 ACP1 (0.36) KDM4EHPGDMAPTKMT2ATP53
SCHEMBL7105967 0.73 ITGB1 (0.54) EGFRERBB2ABL1BCRKDM4E
SCHEMBL7259766 0.72 EGFR (0.49) EGFRERBB2ABL1BCRKDM4E
SCHEMBL7103666 0.72 ITGB1 (0.47) EGFRERBB2ABL1BCRKDM4E
SCHEMBL7099918 0.70 ABL1 (0.40) EGFRERBB2ABL1BCRKDM4E
Hydrochloric Acid SCHEMBL8933839 0.67 EGFR (0.73) EGFRERBB2ABL1BCRMAPT

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-20030162799-A1 Carbocyclic oxo, carboxy amines such as 3-(4-(3,5-Dichloro-4-pyridylcarboxamido)phenyl)-2-(2-propylamino-3,4 -dioxocyclobut-1-enyl)amino)propanoic acid, used as integrin antagonists; antiinflammatory agents CELLTECH R&D LIMITED (GB) 2003-08-28 US disclosed
US-6518283-B1 To modify integrin function in such a way as to beneficially modulate cell adhesion CELLTECH R&D LIMITED (GB) 2003-02-11 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-20030162799-A1 Carbocyclic oxo, carboxy amines such as 3-(4-(3,5-Dichloro-4-pyridylcarboxamido)phenyl)-2-(2-propylamino-3,4 -dioxocyclobut-1-enyl)amino)propanoic acid, used as integrin antagonists; antiinflammatory agents ICAM1, VCAM1, CCR1 EGFR 862/4885ERBB2 840/4885ABL1 2149/4885

“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.